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1032 SMILES Strings for Mitotic checkpoint serine/threonine-protein kinase BUB1

Compound NameSMILES String
BDBM138348 NC(=O)c1cc(F)cc2CN(C3CCN(CC3)C3CCC(F)(F)CC3)C(=O)c12
BDBM379041 OC[C@H](O)COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccccc2F)c2ccccc12 |r|
BDBM379040 OC[C@@H](O)COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccccc2F)c2ccccc12 |r|
BDBM50307506 Cn1nc(C(N)=O)c2CCc3cnc(NC4CCN(CC4)C(=O)c4ccccc4)nc3-c12
BDBM50307507 CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(=O)C3CCN(CC3)S(C)(=O)=O)nc-21
BDBM50307535 CC(=O)N1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
BDBM50343559 CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCO)c4-c3n2)C(N)=O)c1
BDBM50011189 NC(=O)c1cnccc1N(CCO)c1nc(ncc1OCCO)-c1nn(Cc2ccccc2F)c2CCCc12
BDBM50011200 CCOC(=O)c1cnccc1Nc1nc(ncc1Oc1ccccc1C(=O)OCC)-c1nn(Cc2ccccc2F)c2CCCc12
BDBM50011201 CCOc1cc(F)c(Cn2nc(c3CCCc23)-c2ncc(OCC3(CO)COC3)c(Nc3ccncc3)n2)c(F)c1
BDBM50011188 CS(=O)(=O)CCOc1cnc(nc1Nc1ccncc1C(N)=O)-c1nn(Cc2ccccc2F)c2CCCc12
BDBM50011202 CCOc1cc(F)c(Cn2nc(c3CCCc23)-c2ncc(OCCN(C)C)c(Nc3ccncc3)n2)c(F)c1
BDBM50011209 CCOc1cc(F)c(Cn2nc(c3CCCc23)-c2ncc(OC)c(Nc3ccncc3)n2)c(F)c1
BDBM50021618 CN1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(cn23)-c2cccc(Cl)c2)C2CCCCC2)CC1 |r|
BDBM50021626 CC(C)(C)CNC(=O)CC1CNC(=O)c2cc(cn12)-c1ccsc1
BDBM50048357 Nc1nc2c3c(F)cccc3nc(Cc3ccc4OCOc4c3)n2n1
BDBM50048362 Nc1nc2c3ccc(N)cc3nc(Cc3ccc4OCOc4c3)n2n1
BDBM50048364 OCCCNc1ccc2c3ncnn3c(nc2c1)-c1ccc2OCOc2c1
BDBM50048365 Nc1nc2c3ccc(NCCO)cc3nc(Cc3ccc4OCOc4c3)n2n1
BDBM50048374 CN1CCN(CC1)c1cc(F)c2c3nc(N)nn3c(Cc3ccc4OCOc4c3)nc2c1
BDBM50076185 N[C@H]1CCCC[C@H]1Nc1nnc(C(N)=O)c(Nc2cccc3cc[nH]c23)n1 |r|
BDBM341151 CCOc1cc(F)c(Cn2nc(c(Cl)c2C2CC2)-c2nccc(Nc3ccncc3C(=O)NC)n2)c(F)c1
BDBM341152 CCOc1cc(F)c(Cn2nc(c(Cl)c2C2CC2)-c2nccc(Nc3ccncc3C(N)=O)n2)c(F)c1
BDBM341153 CCOc1cc(F)c(Cn2nc(c(Cl)c2C2CC2)-c2nccc(Nc3ccncc3)n2)c(F)c1
BDBM341154 CCOC(=O)c1cnccc1Nc1ccnc(n1)-c1nn(Cc2c(F)cc(OCC)cc2F)c(C2CC2)c1Cl
BDBM341155 CCOc1cc(F)c(Cn2nc(c(Cl)c2C)-c2ncc(OC)c(Nc3ccncc3)n2)c(F)c1
BDBM341156 CCOc1cc(F)c(Cn2nc(c(Br)c2C)-c2ncc(OC)c(Nc3ccncc3)n2)c(F)c1
BDBM341157 CCOc1cc(F)c(Cn2cc(Cl)c(n2)-c2ncc(OC)c(Nc3ccncc3)n2)c(F)c1
BDBM341158 CCOc1cc(F)c(Cn2nc(c(F)c2C)-c2ncc(OC)c(Nc3ccncc3)n2)c(F)c1
BDBM341159 CCOc1cc(F)c(Cn2nc(c(C#N)c2C)-c2ncc(OC)c(Nc3ccncc3)n2)c(F)c1
BDBM341160 CCOC(=O)c1cnccc1Nc1nc(ncc1OC)-c1nn(Cc2c(F)cc(OCC)cc2F)c(C)c1F
BDBM341161 CCOc1cc(F)c(Cn2cc(N(C)C)c(n2)-c2ncc(OC)c(Nc3ccncc3)n2)c(F)c1
BDBM341162 CCOc1cc(F)c(Cn2nc(c(C)c2Br)-c2ncc(OC)c(Nc3ccncc3)n2)c(F)c1
BDBM341163 CCOc1cc(F)c(Cn2nc(c(C)c2C#N)-c2ncc(OC)c(Nc3ccncc3)n2)c(F)c1
BDBM341164 CCOc1cc(F)c(Cn2nc(c(Cl)c2C2CC2)-c2nccc(Nc3ccncc3C(O)=O)n2)c(F)c1
BDBM341166 CCOc1cc(F)c(Cn2nc(c(Cl)c2C2CC2)-c2nccc(Nc3ccncc3C(=O)NCCO)n2)c(F)c1
BDBM341168 CCOc1cc(F)c(Cn2cc(Cl)c(n2)-c2ncc(OC)c(Nc3ccncc3C(N)=O)n2)c(F)c1
BDBM341169 CCOc1cc(F)c(Cn2nc(c(F)c2C)-c2ncc(OC)c(Nc3ccncc3C(=O)NC)n2)c(F)c1
BDBM341170 CCOc1cc(F)c(Cn2nc(c(F)c2C)-c2ncc(OC)c(Nc3ccncc3C(N)=O)n2)c(F)c1
BDBM341165 CCOc1cc(F)c(Cn2cc(Cl)c(n2)-c2ncc(OC)c(Nc3ccncc3C(=O)NC)n2)c(F)c1
BDBM367443 C[C@H](CO)NC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |r|
BDBM367367 CCCN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
BDBM367368 CN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
BDBM367384 CN(CCO)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
BDBM379004 CCOc1cc(F)c(Cn2nc(-c3ncc(OC[C@@H]4CCC(=O)N4)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1 |r|
BDBM415351 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1O
BDBM379090 CNC(=O)c1ccc(Cn2nc(-c3ncc(OC)c(Nc4ccncc4)n3)c3ccccc23)c(Cl)c1
BDBM367317 COC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
BDBM367418 FC(F)(F)CCNC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:9.8|
BDBM367419 CN(CC(F)F)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:8.7|
BDBM367420 CN(C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1)C(C)(C)C |w:4.3|
BDBM367421 OC1(CNC(=O)C2Cc3[nH]c(c(Nc4ccccc4)c3C(=O)C2)-c2ccncc2)CC1 |w:6.5|
BDBM367422 CC(C)(O)CNC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:8.7|
BDBM367423 FC(F)(F)CNC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:8.7|
BDBM367509 CN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2cncs2)c1 |w:5.4|
BDBM367510 CN(CCO)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2cncs2)c1 |w:7.6|
BDBM367511 CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CNS(C)(=O)=O)CC(=O)c2c1Nc1ccccc1 |w:14.15|
BDBM367512 CC(=O)NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1 |w:5.4|
BDBM367514 CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CCCCC(O)=O)CC(=O)c2c1Nc1ccccc1 |w:14.15|
BDBM367515 CC(C)N(C(C)C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:9.8|
BDBM367320 CCCNC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:6.5|
BDBM367321 NC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:3.2|
BDBM367322 OCCNC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:6.5|
BDBM367323 COC(=O)C1CC(=O)C(C(=S)Nc2ccccc2)=C(C1)NCc1ccncc1F |w:4.3,c:18|
BDBM367324 COC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1OC
BDBM367325 COCCNC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:7.6|
BDBM367424 CN(CCC(F)(F)F)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:10.9|
BDBM367425 C[C@@H](O)CNC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |r,w:7.6|
BDBM367428 CN1CCN(CC1)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:9.9|
BDBM367429 O[C@H]1CCN(C1)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |r,w:8.8|
BDBM367516 CN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1OCC(F)F |w:5.4|
BDBM367326 CN(CCO)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:7.6|
BDBM367327 CCN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:6.5|
BDBM367328 O=C(C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1)N1CCOCC1 |w:2.1|
BDBM367329 O=C(C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1)N1CCCC1 |w:2.1|
BDBM367330 O=C(C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1)N1CCC1 |w:2.1|
BDBM367331 O=C(NCC1CC1)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:7.7|
BDBM367430 O[C@@H]1CCN(C1)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |r,w:8.8|
BDBM367431 OC1CN(C1)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:7.7|
BDBM367432 CCN(CC)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:7.6|
BDBM367433 CC(=O)NC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:4.3|
BDBM367434 CC(C)C(=O)NC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:6.5|
BDBM367436 CC(C)CC(=O)NC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:7.6|
BDBM367332 CN(CC1CC1)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:8.8|
BDBM367333 CCCN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:7.6|
BDBM367334 CN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:5.4|
BDBM367335 CCNC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:5.4|
BDBM367336 CC(C)(C)NC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:7.6|
BDBM367337 O=C(C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1)N1CCCCC1 |w:2.1|
BDBM367437 CC(C)(O)CC(=O)NC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:8.7|
BDBM367438 O=C(CC1CC1)NC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:7.7|
BDBM367439 C[C@H](O)CC(=O)NC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |r,w:7.6|
BDBM367440 CC(C)(CO)C(=O)NC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:8.7|
BDBM367338 CC(C)NC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:6.5|
BDBM367339 CC1(CO)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
BDBM367341 COC(=O)C1CC(=O)C(C(=S)Nc2ccccc2)=C(C1)NCc1ccnc(N)c1 |w:4.3,c:18|
BDBM367342 CS(=O)(=O)OCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:6.5|
BDBM367343 CN(C)CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:4.3|
BDBM367344 Cn1c2CC(CO)CC(=O)c2c(Nc2ccccc2)c1-c1ccncc1 |w:4.4|
BDBM367445 C[C@@H](O)CC(=O)NC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |r,w:7.6|
BDBM367447 CNCCNC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:7.6|
BDBM367448 O=C(NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1)C1CCCN1 |w:4.3|
BDBM367449 CN(CCC(=O)NC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1)C(=O)OC(C)(C)C |w:7.6|
BDBM367345 CC(C)(C)[Si](C)(C)OC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
BDBM367346 NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:2.1|
BDBM367347 CCn1c2CC(CO)CC(=O)c2c(Nc2ccccc2)c1-c1ccncc1 |w:5.5|
BDBM367348 OC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:1.0|
BDBM367349 C=CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
BDBM367450 COC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)C2C[C@H]2F)c1 |r,w:4.3|
BDBM367451 O=C1CC(CS(=O)(=O)c2nc3ccccc3s2)Cc2[nH]c(c(Nc3ccccc3)c12)-c1ccncc1 |w:3.3|
BDBM367452 OC(=O)[C@H]1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)C2C[C@H]2F)c1 |r|
BDBM367453 CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(C)(CC(=O)c2c1Nc1ccccc1)C(O)=O
BDBM367454 COC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2ccc(F)cc2)c1 |w:4.3|
BDBM367350 CCNC(=O)NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:7.6|
BDBM367351 O=C(NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1)NC1CC1 |w:4.3|
BDBM367352 CC(C)NC(=O)NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:8.7|
BDBM367353 O=C(NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1)NCc1ccco1 |w:4.3|
BDBM367354 Fc1ccc(NC(=O)NCC2Cc3[nH]c(c(Nc4ccccc4)c3C(=O)C2)-c2ccncc2)cc1Cl |w:10.9|
BDBM367355 COC(=O)NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:6.5|
BDBM367455 COC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2cncs2)c1 |w:4.3|
BDBM367456 CC(C)(C)CC(=O)NC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:8.7|
BDBM367457 OC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2ccc(F)cc2)c1 |w:3.2|
BDBM367458 OC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2cncs2)c1 |w:3.2|
BDBM367459 CNCCC(=O)NC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:7.6|
BDBM367460 OC1(CNC(=O)C2Cc3[nH]c(c(Nc4ccccc4)c3C(=O)C2)-c2ccncc2)CCC1 |w:6.5|
BDBM367356 CC(=O)NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:5.4|
BDBM367357 CS(=O)(=O)NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:6.5|
BDBM367358 COc1cnccc1-c1[nH]c2CC(CC(=O)c2c1Nc1ccccc1)C(O)=O |w:12.28|
BDBM367359 COC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1 |w:4.3|
BDBM367360 OC(=O)CCC=CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:7.6,5.4|
BDBM367361 OC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1F |w:3.2|
BDBM367461 CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CC(=O)c2c1Nc1ccccc1)\C=C\CCC(O)=O
BDBM367462 COC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1OCC(F)F
BDBM367463 CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CN=[N+]=[N-])CC(=O)c2c1Nc1ccccc1
BDBM367464 COCCN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:8.7|
BDBM367465 CN(CCO)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)C2C[C@H]2F)c1 |r,w:7.6|
BDBM367362 Fc1ccc(\C=C\C2Cc3[nH]c(c(Nc4ccccc4)c3C(=O)C2)-c2ccncc2)cc1 |w:7.6|
BDBM367363 O=C1CC(CN2CCOCC2)Cc2[nH]c(c(Nc3ccccc3)c12)-c1ccncc1 |w:3.3|
BDBM367364 CC(C)N(C)CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:6.5|
BDBM367365 CN(C)C\C=C\C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:6.5|
BDBM367366 O=C(NCC1CCCO1)NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:11.11,3.3|
BDBM367466 CN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)C2C[C@H]2F)c1 |r,w:5.4|
BDBM367467 CN(CC(C)(C)C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:9.8|
BDBM367468 CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CN)CC(=O)c2c1Nc1ccccc1 |w:14.15|
BDBM367469 COC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1OCC1CC1
BDBM367470 OC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1OCC1CC1 |w:3.2|
BDBM367471 CN(CCO)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1OCC1CC1 |w:7.6|
BDBM367371 CC(C)SCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:5.4|
BDBM367372 CCSCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:4.3|
BDBM367373 Fc1ccc(cc1)S(=O)(=O)NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:12.12|
BDBM367472 COCCOc1cnccc1-c1[nH]c2CC(CC(=O)c2c1Nc1ccccc1)C(=O)OC
BDBM367473 COCCOc1cnccc1-c1[nH]c2CC(CC(=O)c2c1Nc1ccccc1)C(O)=O |w:15.31|
BDBM367474 COCCOc1cnccc1-c1[nH]c2CC(CC(=O)c2c1Nc1ccccc1)C(=O)N(C)C |w:15.31|
BDBM367475 COCCOc1cnccc1-c1[nH]c2CC(CC(=O)c2c1Nc1ccccc1)C(=O)N(C)CCO |w:15.31|
BDBM367476 COC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1OCCO
BDBM367477 OCCOc1cnccc1-c1[nH]c2CC(CC(=O)c2c1Nc1ccccc1)C(O)=O |w:14.30|
BDBM367374 COCCOC(=O)NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:9.8|
BDBM367375 FCCOC(=O)NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:8.7|
BDBM367376 O=C1CC(CSc2nc3ccccc3s2)Cc2[nH]c(c(Nc3ccccc3)c12)-c1ccncc1 |w:3.3|
BDBM367377 CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CC(=O)c2c1Nc1ccccc1)C(O)=O |w:14.30|
BDBM367379 O=C(NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1)C1CC1 |w:4.3|
BDBM367380 CC(C)C(=O)NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:7.6|
BDBM367478 OC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1OCC(F)F |w:3.2|
BDBM367479 CCN(CCO)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:8.7|
BDBM367480 CC(C)N(CCO)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:9.8|
BDBM367481 CN(CC1(O)CCC1)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:10.10|
BDBM367482 C[C@H](CO)N(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |r,w:8.7|
BDBM367483 C[C@@H](CO)N(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |r,w:8.7|
BDBM367381 COCC(=O)NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:7.6|
BDBM367382 O=C(NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1)C1CCC1 |w:4.3|
BDBM367383 CC(C)S(=O)(=O)NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:8.7|
BDBM367484 CN1CCN(CC1)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1 |w:9.9,9.10|
BDBM367485 CN(C)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1 |w:5.4,5.5|
BDBM367486 C[C@H]1CN(C[C@@H](C)O1)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1 |r,w:10.10,10.11|
BDBM367487 CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(C)(CC(=O)c2c1Nc1ccccc1)C(=O)N1CC(F)C1 |w:14.31,14.15|
BDBM367488 CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(C)(CC(=O)c2c1Nc1ccccc1)C(=O)N1CC(F)(F)C1 |w:14.31,14.15|
BDBM367386 CN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1F |w:5.4|
BDBM367387 COc1cnccc1-c1[nH]c2CC(CC(=O)c2c1Nc1ccccc1)C(=O)N(C)C |w:12.28|
BDBM367388 CN(CCO)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1F |w:7.6|
BDBM367389 COc1cnccc1-c1[nH]c2CC(CC(=O)c2c1Nc1ccccc1)C(=O)N(C)CCO |w:12.28|
BDBM367390 CC(C)S(=O)(=O)CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:6.6|
BDBM367391 CCS(=O)(=O)CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:5.5|
BDBM367489 COCCN(C)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1 |w:8.7,8.8|
BDBM367490 CCN(CC)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1 |w:7.6,7.7|
BDBM367491 CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(C)(CC(=O)c2c1Nc1ccccc1)C(=O)N1CC2(COC2)C1 |w:14.31,14.15|
BDBM367492 CO[C@@H](C)CN(C)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1
BDBM367493 COC[C@H](C)N(C)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1
BDBM367392 COCCC(=O)NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:7.7|
BDBM367393 CN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1 |w:3.4|
BDBM367394 CN(CCO)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1 |w:5.6|
BDBM367397 Nc1cc(ccn1)-c1[nH]c2CC(CO)CC(=O)c2c1Nc1ccccc1
BDBM367494 COC(C)(C)CN(C)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1 |w:10.9,10.10|
BDBM367495 CCCN(C)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1 |w:7.6,7.7|
BDBM367496 CN(CC(C)(C)C)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1 |w:9.8,9.9|
BDBM367497 CN(C)[C@@H]1CCN(C1)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1 |r,w:10.10,10.11|
BDBM367498 CN1CC2CC1CN2C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1 |w:10.11,10.12,THB:8:7:4:2.1|
BDBM367398 Fc1ccc(cc1)C(=O)NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:10.11|
BDBM367399 C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |r,w:13.13|
BDBM367400 CC(C)(C)OC(=O)N1CCCC1C(=O)NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:15.16|
BDBM367401 C[C@H](O)C(=O)NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |r,w:6.6|
BDBM367402 O=C(NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1)c1nccs1 |w:3.3|
BDBM367403 Cn1cccc1C(=O)NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:9.10|
BDBM367499 CC(C)CN(C)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1 |w:8.7,8.8|
BDBM367500 CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(C)(CC(=O)c2c1Nc1ccccc1)C(=O)N1CC2CC1CO2 |w:14.31,14.15,TLB:28:30:33:35.36|
BDBM367501 CCSCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1 |w:4.3|
BDBM367502 CC(C)SCC1=NC(NC(C)=O)=C(Nc2ccccc2)C(=O)C1c1cc2CCCCc2[nH]1 |t:5,11|
BDBM367503 CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CSC(C)(C)C)CC(=O)c2c1Nc1ccccc1 |w:14.15|
BDBM367239 OCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
BDBM367309 CN(C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1)C(=O)OC(C)(C)C
BDBM367310 OC1=C(C(=S)Nc2ccccc2)C(=O)CC(COCc2ccccc2)C1 |w:16.16,c:1|
BDBM367311 CC(C)(C)OC(=O)NC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
BDBM367404 CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CO)CC(=O)c2c1Nc1ccccc1
BDBM367405 O=C(NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1)C1CCOCC1 |w:3.3|
BDBM367406 O=C(NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1)c1ccco1 |w:3.3|
BDBM367407 CN(CC(C)(C)O)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:7.8|
BDBM367408 C[C@H](O)CNC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |r,w:5.6|
BDBM367409 CC(C)(CO)NC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:6.7|
BDBM367413 CN(C)CCNC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:6.7|
BDBM367414 CN(C)CCN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:7.8|
BDBM367415 CNCCN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:6.7|
BDBM367416 FC(F)CNC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:5.6|
BDBM367417 CN(CC(F)(F)F)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:7.8|
BDBM367504 CC(C)SCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(N)c1
BDBM367505 CC(C)S(=O)CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(N)c1 |w:6.5|
BDBM367506 CC(C)S(=O)(=O)CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(N)c1 |w:7.6|
BDBM367507 CN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2ccc(F)cc2)c1 |w:5.4|
BDBM367508 CN(CCO)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2ccc(F)cc2)c1 |w:7.6|
BDBM367313 NC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:1.0|
BDBM367314 O=C(NC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1)C1CC1 |w:3.2|
BDBM367316 OC1=C(C(=S)Nc2ccccc2)C(=O)CC(C1)C(=O)Nc1ccccc1 |w:15.18,c:1|
BDBM367318 OC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:3.2|
BDBM367319 CNC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:4.3|
BDBM367410 CC(C)(C)CNC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:6.7|
BDBM367411 CC(C)CNC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:5.6|
BDBM367412 CC(C)CN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:6.7|
BDBM367586 COC(=O)[C@@H]1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1F |r|
BDBM367587 COC(=O)[C@H]1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1F |r|
BDBM367588 OC(=O)[C@H]1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1F |r|
BDBM367589 OC(=O)[C@@H]1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1F |r|
BDBM367590 CN(C)C(=O)[C@H]1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1F |r|
BDBM367591 CN(C)C(=O)[C@@H]1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1F |r|
BDBM367606 CC(C)S(=O)CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)[C@@H]2C[C@@H]2F)c1 |r,w:6.5,3.2|
BDBM367607 CC(C)S(=O)CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2ccc(Cl)cc2)c1 |w:6.5,3.2|
BDBM367608 CC(C)S(=O)CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2ccc(Cl)c(Cl)c2)c1 |w:6.5,3.2|
BDBM367609 CC1(Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(N)c1)C(O)=O |w:1.28,1.0|
BDBM367592 CC(C)(O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:4.3|
BDBM367593 CC(C)(O)[C@@H]1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |r|
BDBM367594 CC(C)(O)[C@H]1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |r|
BDBM367595 CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CC(=O)c2c1Nc1ccccc1)C(C)(C)O |w:14.30|
BDBM367596 CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(C)(CC(=O)c2c1Nc1ccccc1)C(C)(C)O |w:14.15|
BDBM367597 CC(C)(O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1F |w:4.3|
BDBM415323 CN(C)c1ccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)cc1
BDBM367517 CN(CCO)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1OCC(F)F |w:7.6|
BDBM367518 CN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1OCCO |w:5.4|
BDBM367519 CN(CCO)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1OCCO |w:7.6|
BDBM367520 CN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1OCC1CC1 |w:5.4|
BDBM367521 COC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)C2CC2(F)F)c1 |w:4.3,27.31|
BDBM367522 OC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)C2CC2(F)F)c1 |w:3.2,26.30|
BDBM367523 CN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)C2CC2(F)F)c1 |w:5.4,28.32|
BDBM367524 COc1cc(ccc1F)C(=O)Nc1cc(ccn1)-c1[nH]c2CC(CSC(C)C)CC(=O)c2c1Nc1ccccc1 |w:22.24|
BDBM367525 CC(C)SCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)C(C)(C)F)c1 |w:5.4|
BDBM367526 CC(C)SCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)NC2CC2)c1 |w:5.4|
BDBM367527 CC(C)S(=O)(=O)CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)NC2CC2)c1 |w:7.6|
BDBM367528 C[C@H](N)C(=O)NCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |r,w:7.6|
BDBM367529 CN(C)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)[C@@H]2C[C@@H]2F)c1
BDBM367530 CCN(CC)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)[C@@H]2C[C@@H]2F)c1 |r,w:7.6,7.7|
BDBM367531 CCCN(C)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)[C@@H]2C[C@@H]2F)c1 |r,w:7.6,7.7|
BDBM367532 CC(C)CN(C)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)[C@@H]2C[C@@H]2F)c1 |r,w:8.7,8.8|
BDBM367533 CN(CC1CC1)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)[C@@H]2C[C@@H]2F)c1 |r,w:8.8,8.9|
BDBM367534 CN(CCC(F)(F)F)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)[C@@H]2C[C@@H]2F)c1 |r,w:10.9,10.10|
BDBM367535 CC1(Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)[C@@H]2C[C@@H]2F)c1)C(=O)N1CCCC1 |r,w:1.35,1.0|
BDBM367536 CN(C)[C@@H]1CCN(C1)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)[C@@H]2C[C@@H]2F)c1 |r,w:10.10,10.11|
BDBM367537 CC1(Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)[C@@H]2C[C@@H]2F)c1)C(=O)N1CCCCC1 |r,w:1.35,1.0|
BDBM367538 CN(C)CCSCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1 |w:7.6|
BDBM367441 C[C@@H](CO)NC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |r|
BDBM367539 CC(C)S(=O)(=O)CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(c1)N(C)C(=O)c1ccc(F)cc1 |w:7.6|
BDBM367540 CC1(CO)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(N)c1
BDBM367541 COCCSCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1 |w:6.5|
BDBM367542 CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CSc3ncco3)CC(=O)c2c1Nc1ccccc1 |w:14.15|
BDBM367543 CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CSc3nccs3)CC(=O)c2c1Nc1ccccc1 |w:14.15|
BDBM367544 CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CSc3ccccn3)CC(=O)c2c1Nc1ccccc1 |w:14.15|
BDBM367545 CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CSCc3ccc(F)cc3)CC(=O)c2c1Nc1ccccc1 |w:14.15|
BDBM367546 CC(C)SCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)C2C[C@@H]2F)c1 |r,w:5.4|
BDBM367547 CC(C)SCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2cncs2)c1 |w:5.4|
BDBM367548 CC(C)SCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2ccc(F)cc2)c1 |w:5.4|
BDBM415344 FC(F)COc1cnccc1-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM367549 CC(C)SCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2ccc(Cl)cc2)c1 |w:5.4|
BDBM367550 CC(C)SCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2ccc(Cl)c(Cl)c2)c1 |w:5.4|
BDBM367551 CCS(=O)(=O)CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1 |w:6.5|
BDBM367552 CC(C)S(=O)(=O)CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1 |w:6.6|
BDBM367553 CC(C)S(=O)(=O)CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)C(C)(C)F)c1 |w:6.6|
BDBM367426 OC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
BDBM367554 COc1cc(ccc1F)C(=O)Nc1cc(ccn1)-c1[nH]c2CC(CS(=O)(=O)C(C)C)CC(=O)c2c1Nc1ccccc1 |w:23.24|
BDBM367555 CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CS(=O)(=O)C(C)(C)C)CC(=O)c2c1Nc1ccccc1 |w:15.15|
BDBM367556 CN(C)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)C(C)(C)F)c1
BDBM367557 CCCN(C)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)C(C)(C)F)c1 |w:7.7,7.6|
BDBM367558 CCN(CC)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)C(C)(C)F)c1 |w:7.7,7.6|
BDBM367559 CC(C)CN(C)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)C(C)(C)F)c1 |w:8.8,8.7|
BDBM367560 CN(CCC(F)(F)F)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)C(C)(C)F)c1 |w:10.10,10.9|
BDBM367561 CN(CC1CC1)C(=O)C1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)C(C)(C)F)c1 |w:8.9,8.8|
BDBM367562 CC(C)(F)C(=O)Nc1cc(ccn1)-c1[nH]c2CC(C)(CC(=O)c2c1Nc1ccccc1)C(=O)N1CCCC1 |w:17.18,17.34|
BDBM367563 CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CSc3ccc(F)cc3)CC(=O)c2c1Nc1ccccc1 |w:14.15|
BDBM367564 CC(C)S(=O)(=O)CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)N2CCOCC2)c1 |w:7.6|
BDBM367565 CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CSc3ccc(Cl)c(Cl)c3)CC(=O)c2c1Nc1ccccc1 |w:15.15|
BDBM367566 CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CSc3ccc(Cl)cc3)CC(=O)c2c1Nc1ccccc1 |w:15.15|
BDBM367567 COc1cc(SCC2Cc3[nH]c(c(Nc4ccccc4)c3C(=O)C2)-c2ccnc(NC(C)=O)c2)ccc1F |w:6.6|
BDBM367568 CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CSc3ccc(F)c(F)c3)CC(=O)c2c1Nc1ccccc1 |w:15.15|
BDBM367569 COc1ccc(SCC2Cc3[nH]c(c(Nc4ccccc4)c3C(=O)C2)-c2ccnc(NC(C)=O)c2)cc1 |w:7.7|
BDBM367570 COC(=O)C1Cc2[nH]c(c(Nc3ccccn3)c2C(=O)C1)-c1ccncc1
BDBM367571 CC(C)SCC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(N)c1
BDBM367572 CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CS(=O)(=O)c3nccs3)CC(=O)c2c1Nc1ccccc1 |w:14.15|
BDBM367573 CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CSc3ccc(F)c(O)c3)CC(=O)c2c1Nc1ccccc1 |w:15.15|
BDBM367574 COCCS(=O)(=O)CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1 |w:7.7|
BDBM367575 CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CS(=O)(=O)Cc3ccc(F)cc3)CC(=O)c2c1Nc1ccccc1 |w:15.15|
BDBM367576 OC(=O)C1Cc2[nH]c(c(Nc3ccccn3)c2C(=O)C1)-c1ccncc1 |w:3.2|
BDBM367577 CC(C)(C)OC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:7.6|
BDBM367578 CN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccn3)c2C(=O)C1)-c1ccncc1 |w:5.4|
BDBM367579 C[C@H](O)CN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |r,w:8.7|
BDBM367598 C=CCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:3.2|
BDBM367599 COCCOc1cnccc1-c1[nH]c2CC(CC=C)CC(=O)c2c1Nc1ccccc1 |w:15.16|
BDBM367600 C=CCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1OCC1CC1 |w:3.2|
BDBM367580 C[C@@H](O)CN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |r,w:8.7|
BDBM367581 CN(CCN1CCCC1)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:11.11|
BDBM367582 CN(CCN1CCOCC1)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:12.12|
BDBM367583 CN(C1CCC1)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:8.8|
BDBM367584 COC[C@H](C)N(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |r,w:9.8|
BDBM367585 COCC(C)(C)N(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:10.9|
BDBM367601 CN(C)CCN(C)CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |w:8.7|
BDBM367602 CN(C)C1CCN(CC2Cc3[nH]c(c(Nc4ccccc4)c3C(=O)C2)-c2ccncc2)CC1 |w:8.7|
BDBM367603 CN1CCN(CC2Cc3[nH]c(c(Nc4ccccc4)c3C(=O)C2)-c2ccncc2)CC1 |w:6.5|
BDBM367604 CC(C)S(=O)CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2ccc(F)cc2)c1 |w:6.5,3.2|
BDBM367605 CC(C)S(=O)CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2cncs2)c1 |w:6.5,3.2|
BDBM378930 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccccc2F)c2ccccc12
BDBM378941 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(Cl)cc(OC(F)(F)F)cc2Cl)c2ccccc12
BDBM378942 COc1cnc(nc1N(Cc1c(Cl)cc(OC(F)(F)F)cc1Cl)\C=C\C=N/C=C)-c1nn(Cc2c(Cl)cc(OC(F)(F)F)cc2Cl)c2ccccc12
BDBM378943 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccc3CCC(=O)Nc3c2)c2ccccc12
BDBM378944 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccc(I)cc2Cl)c2ccccc12
BDBM378945 COc1cc(Cn2nc(-c3ncc(OC)c(NC4=CCNC=C4)n3)c3ccccc23)cc(OC)c1 |c:21,t:17|
BDBM378946 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2cc(C)c(C)cc2Cl)c2ccccc12
BDBM379036 CCOc1cc(F)c(Cn2nc(-c3ncc(O)c(n3)N(C(F)F)c3ccncc3)c3ccccc23)c(F)c1
BDBM379037 COc1ccc(Cn2nc(-c3ncc(OCC(F)(F)F)c(Nc4ccncc4)n3)c3ccccc23)cc1
BDBM379038 CCOc1cc(F)c(Cn2nc(-c3ncc(OCC(F)(F)F)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
BDBM379039 OCC(O)COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccccc2F)c2ccccc12
BDBM378947 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccc(cc2)S(F)(F)(F)(F)F)c2ccccc12
BDBM378948 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(Cl)cccc2C(F)(F)F)c2ccccc12
BDBM378949 CO\C=C(/Nc1ccncc1)\N=C(/N=C)c1nn(Cc2cc(F)ccc2Cl)c2ccccc12
BDBM378950 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccc3c(C)cc(=O)oc3c2)c2ccccc12
BDBM378951 COC1=C(N\C=C\C=N/C=C)NC(N=C1)c1nn(Cc2ccc(cc2F)C#N)c2ccccc12 |c:2,13|
BDBM378952 COc1cnc(nc1N(Cc1ccc(cc1F)C#N)c1ccncc1)-c1nn(Cc2ccc(cc2F)C#N)c2ccccc12
BDBM379043 OCCOc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccccc2F)c2ccccc12
BDBM379044 CCOC(=O)c1cnccc1Nc1nc(ncc1OCCO)-c1nn(Cc2ccccc2F)c2ccccc12
BDBM379045 CNC(=O)c1cnccc1Nc1nc(ncc1OCCO)-c1nn(Cc2ccccc2F)c2ccccc12
BDBM379046 NC(=O)c1cnccc1Nc1nc(ncc1OCCO)-c1nn(Cc2ccccc2F)c2ccccc12
BDBM379047 OCCOC(=O)c1cnccc1Nc1nc(ncc1OCCO)-c1nn(Cc2ccccc2F)c2ccccc12
BDBM379008 NS(=O)(=O)COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccccc2F)c2ccccc12
BDBM378953 COc1cnc(nc1NC1=CCNC=C1)-c1nn(Cc2c(Cl)ccc(c2Cl)C(F)(F)F)c2ccccc12 |c:14,t:10|
BDBM378954 CCOC(=O)Cc1cccc(Cn2nc(-c3ncc(OC)c(NC4=CCNC=C4)n3)c3ccccc23)c1 |c:27,t:23|
BDBM378955 COc1cnc(nc1NC1=CCNC=C1)-c1nn(Cc2ccc(F)cc2)c2ccccc12 |c:14,t:10|
BDBM378956 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccc(cc2)S(=O)(=O)NC2CC2)c2ccccc12
BDBM378957 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccc3CC(=O)Oc3c2)c2ccccc12
BDBM378958 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(F)cc(OC(F)F)cc2F)c2ccccc12
BDBM379048 COc1ccc(Cn2nc(-c3ncc(OC4CC4)c(Nc4ccncc4)n3)c3ccccc23)cc1
BDBM379049 CCOc1cc(F)c(Cn2nc(-c3ncc(OC)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
BDBM378959 COc1cnc(nc1N(Cc1c(F)cc(OC(F)F)cc1F)c1ccncc1)-c1nn(Cc2c(F)cc(OC(F)F)cc2F)c2ccccc12
BDBM378960 COc1ccc(F)c(CN(\N=C\c2ncc(OC)c(Nc3ccncc3)n2)c2ccccc2)c1F
BDBM378961 COc1ccc(F)c(CN(c2ccncc2)c2nc(ncc2OC)-c2nn(Cc3c(F)ccc(OC)c3F)c3ccccc23)c1F
BDBM378962 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2cc3OCOc3cc2Br)c2ccccc12
BDBM378963 COc1cnc(\C=N\N(Cc2ccc(cc2Cl)C(=O)OC(C)(C)C)c2ccccc2)nc1Nc1ccncc1
BDBM378964 CCOC(=O)C(C)(C)c1cccc(Cn2nc(-c3ncc(OC)c(Nc4ccncc4)n3)c3ccccc23)c1
BDBM379055 CCOc1cc(F)c(Cn2nc(-c3nccc(n3)N(C(C)=O)c3ccncc3)c3ccccc23)c(F)c1
BDBM379056 CCOc1cc(F)c(Cn2nc(-c3nccc(n3)N(C(=O)COC)c3ccncc3)c3ccccc23)c(F)c1
BDBM379057 CCOc1cc(F)c(Cn2nc(-c3nccc(n3)N(C(=O)C3CCOCC3)c3ccncc3)c3ccccc23)c(F)c1
BDBM379058 CCOc1cc(F)c(Cn2nc(-c3nccc(n3)N(C(=O)COCCOC)c3ccncc3)c3ccccc23)c(F)c1
BDBM379059 CCOc1cc(F)c(Cn2nc(-c3nccc(n3)N(CCO)c3ccncc3)c3ccccc23)c(F)c1
BDBM378965 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccc(cc2)C#N)c2ccccc12
BDBM378966 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccc(cc2)S(=O)(=O)N2CCOCC2)c2ccccc12
BDBM378967 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(Cl)ccc(c2Cl)[N+]([O-])=O)c2ccccc12
BDBM378968 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2cccc(c2)C#N)c2ccccc12
BDBM378969 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(F)cc(cc2F)C#N)c2ccccc12
BDBM378970 COc1cc(ccc1Cn1nc(-c2ncc(OC)c(Nc3ccncc3)n2)c2ccccc12)C(F)(F)F
BDBM379060 CCOc1cc(F)c(Cn2nc(-c3nccc(n3)N(CC3(CO)COC3)c3ccncc3)c3ccccc23)c(F)c1
BDBM379061 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(F)cc(Br)cc2OCC(F)(F)F)c2ccccc12
BDBM379062 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(OCC(F)(F)F)cc(Br)cc2OCC(F)(F)F)c2ccccc12
BDBM379063 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(Cl)ccc(C(O)=O)c2Cl)c2ccccc12
BDBM379064 CCOc1cc(F)c(Cn2nc(-c3ncc(OCC(O)=O)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
BDBM379065 CNC(=O)c1ccc(Cl)c(Cn2nc(-c3ncc(OC)c(Nc4ccncc4)n3)c3ccccc23)c1Cl
BDBM378971 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(F)ccc(C)c2F)c2ccccc12
BDBM378972 COc1cccc(F)c1Cn1nc(-c2ncc(OC)c(Nc3ccncc3)n2)c2ccccc12
BDBM378973 CCOc1cc(F)c(Cn2nc(\C(N=C)=N\C(\Nc3ccncc3)=C\OC)c3ccccc23)c(F)c1
BDBM378974 CCOc1cc(F)c(CN(c2ccncc2)c2nc(ncc2OC)-c2nn(Cc3c(F)cc(OCC)cc3F)c3ccccc23)c(F)c1
BDBM378975 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccccc2C#N)c2ccccc12
BDBM378976 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(F)cc(cc2F)C(N)=O)c2ccccc12
BDBM379066 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(Cl)ccc(C(N)=O)c2Cl)c2ccccc12
BDBM379067 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(Cl)ccc(C(=O)N(C)C)c2Cl)c2ccccc12
BDBM379068 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(Cl)ccc(C(=O)NCCO)c2Cl)c2ccccc12
BDBM379069 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(Cl)ccc(C(=O)N3CCOCC3)c2Cl)c2ccccc12
BDBM379070 CNC(=O)c1cc(F)c(Cn2nc(-c3ncc(OC)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
BDBM379071 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccc(cc2F)C#C)c2ccccc12
BDBM378977 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(F)cc(OCCOC(C)=O)cc2F)c2ccccc12
BDBM378978 CCCOc1cc(F)c(Cn2nc(-c3ncc(OC)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
BDBM378979 CCOc1cc(F)c(Cn2nc(-c3ncc(OC)c(Nc4ccncc4)n3)c3ccccc23)c(OC)c1
BDBM378980 COc1ccc(Cn2nc(-c3ncc(OC)c(Nc4ccncc4)n3)c3ccccc23)c(Cl)c1
BDBM378981 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2cccc3OCCCOc23)c2ccccc12
BDBM378982 COc1cnc(nc1)-c1nn(Cc2c(F)cccc2F)c2ccccc12
BDBM379072 OCC1COc2cnc(nc2N1c1ccncc1)-c1nn(Cc2ccccc2F)c2ccccc12
BDBM379073 COc1cnc(nc1N(C)c1ccncc1)-c1nn(Cc2ccccc2F)c2ccccc12
BDBM379074 COc1cnc(nc1Nc1ccncc1C#N)-c1nn(Cc2ccccc2F)c2ccccc12
BDBM379075 COC(=O)c1cnccc1Nc1nc(ncc1OC)-c1nn(Cc2ccccc2F)c2ccccc12
BDBM379077 COc1cnc(nc1N(c1ccncc1)c1ccncc1)-c1nn(Cc2ccccc2F)c2ccccc12
BDBM379078 CCOc1cc(F)c(Cn2nc(-c3ncc(OC)c(Nc4ccncc4C#N)n3)c3ccccc23)c(F)c1
BDBM378983 COc1cnc(nc1N(Cc1c(F)cccc1F)c1ccncc1)-c1nn(Cc2c(F)cccc2F)c2ccccc12
BDBM378984 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2cccc(SC(F)(F)F)c2)c2ccccc12
BDBM378985 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccc(C)c(F)c2F)c2ccccc12
BDBM378986 COc1cnc(nc1N(Cc1ccc(C)c(F)c1F)c1ccncc1)-c1nn(Cc2ccc(C)c(F)c2F)c2ccccc12
BDBM378987 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccc(cc2)-n2cccn2)c2ccccc12
BDBM379079 CCOc1cc(O)c(Cn2nc(-c3ncc(OC)c(Nc4cc(C)nc(C)c4)n3)c3ccccc23)c(F)c1
BDBM379080 COc1ccc(Cn2nc(-c3ncc(OC)c(Nc4cc[nH]c(=O)c4)n3)c3ccccc23)cc1
BDBM379081 CCOc1cc(F)c(Cn2nc(-c3ncc(OC)c(Nc4cc[nH]c(=O)c4)n3)c3ccccc23)c(F)c1
BDBM379082 COc1cnc(nc1Nc1ccncc1C(N)=O)-c1nn(Cc2ccccc2F)c2ccccc12
BDBM379083 CCCc1ccc(Cn2nc(-c3ncc(OC)c(Nc4ccncc4C(N)=O)n3)c3ccccc23)cc1
BDBM379084 CCOc1cc(F)c(Cn2nc(-c3ncc(OC)c(Nc4ccncc4C(N)=O)n3)c3ccccc23)c(F)c1
BDBM378989 COc1cnc(nc1N(Cc1c(Cl)cccc1Cl)c1ccncc1)-c1nn(Cc2c(Cl)cccc2Cl)c2ccccc12
BDBM378990 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccc(SC(F)(F)F)cc2)c2ccccc12
BDBM378991 CCOc1cc(F)c(Cn2nc(-c3ncc(O)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
BDBM378992 COc1ccc(Cn2nc(-c3ncc(O)c(Nc4ccncc4)n3)c3ccccc23)cc1
BDBM378993 Oc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccccc2F)c2ccccc12
BDBM378994 Oc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccc(F)cc2)c2ccccc12
BDBM379085 COc1cnc(nc1Nc1ccncc1C(N)=O)-c1nn(Cc2c(F)cc(O)cc2F)c2ccccc12
BDBM379086 Oc1cnc(nc1Nc1ccncc1C#N)-c1nn(Cc2ccccc2F)c2ccccc12
BDBM379087 Fc1ccccc1Cn1nc(-c2ncc(Oc3ccncc3C#N)c(Nc3ccncc3C#N)n2)c2ccccc12
BDBM379088 COc1ccc(Cn2nc(-c3ncc(OC)c(Nc4ccncc4C(F)(F)F)n3)c3ccccc23)cc1
BDBM379089 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccc(cc2Cl)C(O)=O)c2ccccc12
BDBM378995 CCOc1cc(F)c(Cn2nc(-c3ncc(OCC4(CO)COC4)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
BDBM378996 CCOc1cc(F)c(Cn2nc(-c3ncc(OCCOC)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
BDBM378997 CCOc1cc(F)c(Cn2nc(-c3ncc(OCC4CN(CCO4)C(=O)OC(C)(C)C)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
BDBM378998 CCOc1cc(F)c(Cn2nc(-c3ncc(OCCN4CCOCC4)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
BDBM378999 COCc1noc(COc2cnc(nc2Nc2ccncc2)-c2nn(Cc3ccccc3F)c3ccccc23)n1
BDBM379000 CCOC(=O)COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(F)cc(OCC)cc2F)c2ccccc12
BDBM379092 NC(=O)c1cnccc1Nc1nc(ncc1O)-c1nn(Cc2ccccc2F)c2ccccc12
BDBM379093 OC(=O)c1cnccc1Nc1nc(ncc1O)-c1nn(Cc2ccccc2F)c2ccccc12
BDBM379094 CCOC(=O)c1cnccc1Nc1nc(ncc1O)-c1nn(Cc2ccccc2F)c2ccccc12
BDBM379095 Fc1ccccc1Cn1nc(-c2ncc(C#N)c(Nc3ccncc3)n2)c2ccccc12
BDBM379096 NC(=O)c1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccccc2F)c2ccccc12
BDBM379097 OCCOc1cnc(nc1Nc1ccncc1C(O)=O)-c1nn(Cc2ccccc2F)c2ccccc12
BDBM379001 CCOc1cc(F)c(Cn2nc(-c3ncc(OCC(=O)N4CC(F)(F)C4)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
BDBM379002 CCOc1cc(F)c(Cn2nc(-c3ncc(OCCSC)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
BDBM379003 CCOc1cc(F)c(Cn2nc(-c3ncc(OCCOCCO)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
BDBM379005 CCOc1cc(F)c(Cn2nc(-c3ncc(OC[C@H]4CCC(=O)N4)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1 |r|
BDBM379006 OCC1(COc2cnc(nc2Nc2ccncc2)-c2nn(Cc3ccccc3F)c3ccccc23)COC1
BDBM379098 COc1ccc(Cn2nc(-c3ncc(OC)c(Nc4ccnc(F)c4)n3)c3ccccc23)cc1
BDBM379099 COc1ccc(Cn2nc(-c3ncc(OC)c(Nc4cc(F)nc(F)c4)n3)c3ccccc23)cc1
BDBM379100 COc1ccc(Cn2nc(-c3ncc(OC)c(Nc4ccncc4F)n3)c3ccccc23)cc1
BDBM379101 COc1ccc(Cn2nc(-c3ncc(OC)c(Nc4ccnc(C)c4)n3)c3ccccc23)cc1
BDBM379102 CCOc1cc(F)c(Cn2nc(-c3nccc(n3)N(C(F)F)c3ccncc3)c3ccccc23)c(F)c1
BDBM378915 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(Cl)ccc(C)c2F)c2ccccc12
BDBM379007 OCC1(COc2cnc(nc2N(CC2(CO)COC2)c2ccncc2)-c2nn(Cc3ccccc3F)c3ccccc23)COC1
BDBM379009 CC(C)(C)OC(=O)NCCOCCOc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccccc2F)c2ccccc12
BDBM379010 CCOc1cc(F)c(Cn2nc(-c3ncc(OCC(=O)N4CC(F)C4)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
BDBM379106 CCOc1cc(F)c(Cn2nc(-c3ncc(OCCS(C)(=O)=O)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
BDBM379107 CCOc1cc(F)c(Cn2nc(-c3ncc(OCCN)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
BDBM379108 CCOc1cc(F)c(Cn2nc(-c3ncc(OCC4CNCCO4)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
BDBM379109 CCOc1cc(F)c(Cn2nc(-c3ncc(OC)c(Nc4c(F)cncc4F)n3)c3ccccc23)c(F)c1
BDBM378916 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2cccc(c2)-n2cccc2)c2ccccc12
BDBM378917 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccccc2Cl)c2ccccc12
BDBM378918 COc1cnc(nc1N(Cc1ccccc1Cl)c1ccncc1)-c1nn(Cc2ccccc2Cl)c2ccccc12
BDBM378919 COC(=O)c1ccc(Cn2nc(-c3ncc(OC)c(Nc4ccncc4)n3)c3ccccc23)c(Cl)c1
BDBM378920 COC(=O)c1ccc(CN(c2ccncc2)c2nc(ncc2OC)-c2nn(Cc3ccc(cc3Cl)C(=O)OC)c3ccccc23)c(Cl)c1
BDBM378921 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(F)cc(Br)cc2F)c2ccccc12
BDBM379013 CN(C)CCOc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccccc2F)c2ccccc12
BDBM379014 Fc1ccccc1Cn1nc(-c2ncc(OCCc3nnn[nH]3)c(Nc3ccncc3)n2)c2ccccc12
BDBM379015 Fc1ccccc1Cn1nc(-c2ncc(OCCc3nnn[nH]3)c(n2)N(CCc2nnn[nH]2)c2ccncc2)c2ccccc12
BDBM379016 CN(C)CCOc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccc(F)cc2)c2ccccc12
BDBM379017 Fc1ccccc1Cn1nc(-c2ncc(OCc3nnn[nH]3)c(Nc3ccncc3)n2)c2ccccc12
BDBM379110 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(Cl)ccc(N)c2Cl)c2ccccc12
BDBM379111 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(Cl)ccc(NC(C)=O)c2Cl)c2ccccc12
BDBM379112 CCOc1cc(F)c(Cn2nc(-c3ncc(OC)c(Nc4ccncc4)n3)c3c(C)cccc23)c(F)c1
BDBM378922 COC1=C(N\C=C\C=N/C=C)NC(N=C1)c1nn(Cc2ccc(F)c(OC)c2Cl)c2ccccc12 |c:2,13|
BDBM378923 CCOc1ccc(Cn2nc(-c3ncc(OC)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1F
BDBM378924 CCOc1ccc(CN(c2ccncc2)c2nc(ncc2OC)-c2nn(Cc3ccc(OCC)c(F)c3F)c3ccccc23)c(F)c1F
BDBM378925 CO\C=C(/Nc1ccncc1)\N=C(/N=C)c1nn(Cc2c(F)c(F)c(OCC(F)(F)F)c(F)c2F)c2ccccc12
BDBM378926 COc1cnc(nc1N(Cc1c(F)c(F)c(OCC(F)(F)F)c(F)c1F)c1ccncc1)-c1nn(Cc2c(F)c(F)c(OCC(F)(F)F)c(F)c2F)c2ccccc12
BDBM378927 COC(=O)c1ccc(Cl)c(Cn2nc(-c3ncc(OC)c(NC4=CCNC=C4)n3)c3ccccc23)c1Cl |c:26,t:22|
BDBM379018 CCOc1cc(F)c(Cn2nc(-c3ncc(OCCN(C)C)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
BDBM379019 CCOc1cc(F)c(Cn2nc(-c3ncc(OCC(O)CN4CCCCC4)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
BDBM379020 CCOc1cc(F)c(Cn2nc(-c3ncc(OCCNC(=O)OC(C)(C)C)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
BDBM379021 CCOc1cc(F)c(Cn2nc(-c3nccc(Nc4ccncc4)n3)c3ccccc23)c(F)c1
BDBM379022 COc1ccc(Cn2nc(-c3nccc(Nc4ccncc4)n3)c3ccccc23)cc1
BDBM379023 Fc1ccccc1Cn1nc(-c2nccc(Nc3ccncc3)n2)c2ccccc12
BDBM378928 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(F)cc(F)cc2F)c2ccccc12
BDBM378929 COc1cnc(nc1N(Cc1c(F)cc(F)cc1F)c1ccncc1)-c1nn(Cc2c(F)cc(F)cc2F)c2ccccc12
BDBM378931 COc1cnc(nc1NC1=CCNC=C1)-c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12 |c:14,t:10|
BDBM378932 COc1ccc(F)c(Cn2nc(-c3ncc(OC)c(Nc4ccncc4)n3)c3ccccc23)c1F
BDBM378933 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2cccc(c2)-c2noc(C)n2)c2ccccc12
BDBM379024 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(F)cc(cc2F)C2CC2)c2ccccc12
BDBM379025 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(F)cc(\C=C\C)cc2F)c2ccccc12
BDBM379026 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(F)cc(cc2F)C(C)=O)c2ccccc12
BDBM379028 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2cccc(CCO)c2)c2ccccc12
BDBM379029 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2cccc(c2)C(C)(C)CO)c2ccccc12
BDBM379027 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(Cl)ccc(CO)c2Cl)c2ccccc12
BDBM378988 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(Cl)cccc2Cl)c2ccccc12
BDBM378934 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccc(I)cc2F)c2ccccc12
BDBM378935 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccccc2Br)c2ccccc12
BDBM378936 COc1cnc(nc1N(Cc1ccccc1Br)c1ccncc1)-c1nn(Cc2ccccc2Br)c2ccccc12
BDBM378937 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccc(CC(O)=O)cc2F)c2ccccc12
BDBM378938 COc1ccc(Cn2nc(-c3ncc(OC)c(Nc4ccncc4)n3)c3ccccc23)cc1
BDBM378939 COc1cnc(nc1)-c1nn(Cc2c(F)c(F)c(OC)c(F)c2F)c2ccccc12
BDBM378940 CCCc1ccc(Cn2nc(-c3ncc(OC)c(Nc4ccncc4)n3)c3ccccc23)cc1
BDBM379030 CCOc1cc(F)c(Cn2nc(-c3ncc(OC)c(Nc4ccncc4CO)n3)c3ccccc23)c(F)c1
BDBM379031 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccc(cc2Cl)C(C)(C)O)c2ccccc12
BDBM379032 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2cccc(CC(C)(C)O)c2)c2ccccc12
BDBM379033 COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(Cl)ccc(c2Cl)C(C)(C)O)c2ccccc12
BDBM379034 CCOc1cc(F)c(Cn2nc(-c3ncc(OC(F)F)c(Cc4ccncc4)n3)c3ccccc23)c(F)c1
BDBM379035 CCOc1cc(F)c(Cn2nc(-c3ncc(OC(F)F)c(n3)N(C(F)F)c3ccncc3)c3ccccc23)c(F)c1
BDBM379042 CCOc1cc(F)c(Cn2nc(-c3ncc(OCCO)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
BDBM379103 CCOc1cc(F)c(Cn2nc(-c3ncc(OCCS(C)=O)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
BDBM395239 CC1(C)[C@@H]2C[C@H]1C(=O)C(C(=S)Nc1ccccc1)=C2O |r,c:19,TLB:19:18:1:4,THB:7:6:1:4,9:8:1:4|
BDBM395240 CC1(C)[C@H]2C[C@@H]1C(NCc1ccnc(N)c1)=C(C(=S)Nc1ccccc1)C2=O |r,t:17,TLB:7:6:1:4,THB:27:26:1:4,17:16:1:4|
BDBM395243 CC(=O)Nc1cc(ccn1)-c1[nH]c2[C@H]3C[C@@H](C(=O)c2c1Nc1ccccc1)C3(C)C |r,TLB:17:16:27:14,THB:11:12:27:14|
BDBM395244 CC1(C)[C@@H]2C[C@H]1C(=O)c1c(Nc3ccccc3)c([nH]c21)-c1ccnc(NC(=O)C2CC2)c1 |r,TLB:18:19:1:4,THB:7:6:1:4|
BDBM395245 COC(=O)Nc1cc(ccn1)-c1[nH]c2[C@H]3C[C@@H](C(=O)c2c1Nc1ccccc1)C3(C)C |r,TLB:18:17:28:15,THB:12:13:28:15|
BDBM395246 CCNC(=O)Nc1cc(ccn1)-c1[nH]c2[C@H]3C[C@@H](C(=O)c2c1Nc1ccccc1)C3(C)C |r,TLB:19:18:29:16,THB:13:14:29:16|
BDBM395247 CC1(C)[C@@H]2C[C@H]1C(=O)c1c(Nc3ccccc3)c([nH]c21)-c1ccnc(NC(=O)NC2CC2)c1 |r,TLB:18:19:1:4,THB:7:6:1:4|
BDBM395248 CC1(C)[C@H]2C[C@@H]1C(NCc1ccncc1F)=C(C(=S)Nc1ccccc1)C2=O |r,t:17,TLB:7:6:1:4,THB:27:26:1:4,17:16:1:4|
BDBM395249 COC(=O)C1CC(O)=C(C(=S)Nc2ccccc2)C(=O)C1 |w:4.3,t:7|
BDBM395250 OCC1CC(O)=C(C(=S)Nc2ccccc2)C(=O)C1 |w:2.1,t:5|
BDBM395251 O=C1[C@@H]2C[C@@H]2Cc2[nH]c(c(Nc3ccccc3)c12)-c1ccncc1 |r|
BDBM395252 O=C1[C@H]2C[C@H]2Cc2[nH]c(c(Nc3ccccc3)c12)-c1ccncc1 |r|
BDBM395253 Nc1cc(CNC2=C(C(=S)Nc3ccccc3)C(=O)CC(CO)C2)ccn1 |w:20.21,c:6|
BDBM395254 CC1(CO)CC(O)=C(C(=S)Nc2ccccc2)C(=O)C1 |w:1.0,1.1,t:6|
BDBM395255 C[C@]12C[C@H]1C(=O)c1c(C2)[nH]c(c1Nc1ccccc1)-c1ccncc1 |r|
BDBM395256 C[C@@]12C[C@@H]1C(=O)c1c(C2)[nH]c(c1Nc1ccccc1)-c1ccncc1 |r|
BDBM395257 CC1(CO)CC(=O)C(C(=S)Nc2ccccc2)=C(C1)NCc1ccnc(N)c1 |w:1.1,1.0,c:17|
BDBM395258 CC(=O)Nc1cc(ccn1)-c1[nH]c2C[C@@]3(C)C[C@H]3C(=O)c2c1Nc1ccccc1 |r|
BDBM395259 O=c1ccccc2[nH]c(c(Nc3ccccc3)c12)-c1ccncc1
BDBM395260 O=C1CCC=Cc2[nH]c(c(Nc3ccccc3)c12)-c1ccncc1 |c:4|
BDBM395261 Cc1ccc(=O)c2c(Nc3ccccc3)c([nH]c2c1)-c1ccnc(N)c1
BDBM395262 CC1CCC(=O)c2c(C1)[nH]c(c2Nc1ccccc1)-c1ccnc(N)c1 |w:1.0|
BDBM395264 CC1(COS(C)(=O)=O)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NS(C)(=O)=O)c1 |w:1.1,1.0|
BDBM395265 C[C@@]12C[C@@H]1C(=O)c1c(Nc3ccccc3)c([nH]c1C2=O)-c1ccnc(NC(=O)C2(F)CC2)c1 |r|
BDBM395266 C[C@@]12C[C@@H]1C(=O)c1c(C2)[nH]c(c1Nc1ccccc1)-c1ccnc(NC(=O)C2(F)CC2)c1 |r|
BDBM395267 C[C@]12C[C@H]1C(=O)c1c(C2)[nH]c(c1Nc1ccccc1)-c1ccnc(NC(=O)C2(F)CC2)c1 |r|
BDBM395268 C[C@@]12C[C@@H]1C(=O)c1c(Nc3ccccc3)c([nH]c1C2=O)-c1ccnc(NC(=O)C2CC2)c1 |r|
BDBM395269 CC1(CC1)C(=O)Nc1cc(ccn1)-c1[nH]c2c(c1Nc1ccccc1)C(=O)[C@@H]1C[C@]1(C)C2=O |r|
BDBM395270 Cn1ccc(n1)C(=O)Nc1cc(ccn1)-c1[nH]c2c(c1Nc1ccccc1)C(=O)[C@H]1C[C@@]1(C)C2=O |r|
BDBM395271 COc1cc(ccc1F)C(=O)Nc1cc(ccn1)-c1[nH]c2c(c1Nc1ccccc1)C(=O)[C@H]1C[C@@]1(C)C2=O |r|
BDBM395275 C[C@@H]1CCC(=O)c2c(C1)[nH]c(c2Nc1ccccc1)-c1ccnc(NC(C)=O)c1 |r|
BDBM395284 COc1ccc(cc1F)C(=O)Nc1cc(ccn1)-c1[nH]c2C[C@@]3(C)C[C@H]3C(=O)c2c1Nc1ccccc1 |r|
BDBM395285 COc1ccc(cc1F)C(=O)Nc1cc(ccn1)-c1[nH]c2C[C@]3(C)C[C@@H]3C(=O)c2c1Nc1ccccc1 |r|
BDBM395241 CC1(C)[C@H]2C[C@@H]1C(=O)c1c(Nc3ccccc3)c([nH]c21)-c1ccnc(N)c1 |r,TLB:7:6:4:1,THB:18:19:4:1|
BDBM395263 CC1CCC(=O)c2c(C1)[nH]c(c2Nc1ccccc1)-c1ccnc(NC(C)=O)c1 |w:1.0|
BDBM395276 CC(C)(F)C(=O)Nc1cc(ccn1)-c1[nH]c2C[C@]3(C)C[C@@H]3C(=O)c2c1Nc1ccccc1 |r|
BDBM395278 Cn1nccc1C(=O)Nc1cc(ccn1)-c1[nH]c2C[C@]3(C)C[C@@H]3C(=O)c2c1Nc1ccccc1 |r|
BDBM395282 C[C@]12C[C@H]1C(=O)c1c(C2)[nH]c(c1Nc1ccccc1)-c1ccnc(NC(=O)c2c(F)cccc2F)c1 |r|
BDBM395272 C[C@@]12C[C@@H]1C(=O)c1c(C2)[nH]c(c1Nc1ccccc1)-c1ccnc(NC(=O)[C@@H]2C[C@@H]2F)c1 |r|
BDBM395280 C[C@@]12C[C@@H]1C(=O)c1c(C2)[nH]c(c1Nc1ccccc1)-c1ccnc(NC(=O)c2cc[nH]n2)c1 |r|
BDBM414900 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
BDBM414901 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1Cl
BDBM415000 Cc1cccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1F
BDBM415001 CC(C)C(=O)Nc1cccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
BDBM415002 CCC(=O)Nc1cccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
BDBM415003 CNC(=O)c1cccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
BDBM415004 CC1(C)Cc2[nH]c(c(Nc3ccc4[nH]ncc4c3)c2C(=O)C1)-c1ccncc1
BDBM415005 CC1(C)Cc2[nH]c(c(Nc3cccc(c3)C(N)=O)c2C(=O)C1)-c1ccncc1
BDBM415105 Cn1cc(Nc2cc(ccn2)-c2[nH]c3CC(C)(C)CC(=O)c3c2Nc2ccccc2)cn1
BDBM415106 Nc1cc(ccn1)-c1[nH]c2CC3(CC3)CC(=O)c2c1Nc1ccccc1
BDBM415107 Fc1cc(ccn1)-c1[nH]c2CC3(CC3)CC(=O)c2c1Nc1ccccc1
BDBM415108 Fc1cnccc1-c1[nH]c2CC3(CC3)CC(=O)c2c1Nc1ccccc1
BDBM415109 Cc1cc(cc(C)n1)-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1
BDBM415110 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc2OCCOc12
BDBM415202 CN1CCCC1C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415203 CN1C(CCC1=O)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415204 O=C(Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)C1CCC(=O)N1
BDBM415205 COC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1cccc(F)c1
BDBM415206 CC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccc(F)cc1
BDBM415207 Fc1ccc(Nc2c([nH]c3CCCC(=O)c23)-c2ccnc(NC(=O)C3CC3)c2)cc1
BDBM415209 Fc1ccc(Nc2c([nH]c3CCCC(=O)c23)-c2ccnc(NC(=O)C3CC3)c2)cc1F
BDBM415210 CC(C)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1
BDBM415211 CC(C)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)C2CC2)c1
BDBM415212 CC(C)C1Cc2[nH]c(c(Nc3cccc(F)c3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1
BDBM415213 CC(C)C1Cc2[nH]c(c(Nc3cccc(F)c3)c2C(=O)C1)-c1ccnc(NC(=O)C2CC2)c1
BDBM415220 CC(C)(O)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415221 CCOC(C)(C)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415222 COC(C)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415223 CCCOCC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415224 CC(C)COCC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415225 FC(F)(F)C(F)(F)COCC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415238 Clc1sccc1OCC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415239 Cc1cc(OCC(=O)Nc2cc(ccn2)-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)no1
BDBM415240 O=C(COc1ccccn1)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415241 O=C(COc1ccon1)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415242 Cc1noc(COCC(=O)Nc2cc(ccn2)-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)n1
BDBM415243 Cc1cc(COCC(=O)Nc2cc(ccn2)-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)on1
BDBM415264 OC[C@@H](O)CNc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1 |r|
BDBM415265 O=C1CCCc2[nH]c(c(Nc3ccccc3)c12)-c1ccnc(NCc2cccnc2)c1
BDBM415266 CC(C)(C)OC(=O)N1CC(CNc2cc(ccn2)-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)C1
BDBM415267 Cn1nnnc1Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415268 Fc1cccc(Nc2cc(ccn2)-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)c1
BDBM415269 CC(C)Nc1cnccc1-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415346 OCCOc1cnccc1-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415297 CCOc1cnccc1-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1
BDBM415298 CCCOc1cnccc1CNC1=C(C(=S)Nc2ccccc2)C(=O)CC(C)(C)C1 |c:13|
BDBM415299 CC(C)Oc1cnccc1CNC1=C(C(=S)Nc2ccccc2)C(=O)CC(C)(C)C1 |c:13|
BDBM415300 CC(C)(C)Oc1cnccc1CNC1=C(C(=S)Nc2ccccc2)C(=O)CC(C)(C)C1 |c:14|
BDBM415301 CC1(C)CC(=O)C(C(=S)Nc2ccccc2)=C(C1)NCc1ccncc1OCC(F)F |c:16|
BDBM415334 Cn1cc(cn1)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415335 CC(C)(C)n1cc(cn1)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415336 O=C(Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)c1cnn(Cc2ccccc2)c1
BDBM415337 COc1ccc(Cn2cc(cn2)C(=O)Nc2cc(ccn2)-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)cc1
BDBM415338 Fc1ccc(cc1F)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415374 CC1(C)Cc2[nH]c(c(Nc3cc(F)ccc3CO)c2C(=O)C1)-c1ccncc1
BDBM415375 CC(C)(O)c1ccccc1Nc1c([nH]c2CC(C)(C)CC(=O)c12)-c1ccncc1
BDBM415376 O=C1CCCc2[nH]c(c(Nc3ccccc3)c12)-c1ccnc(NCCc2ccccc2)c1
BDBM415377 O=C1CCCc2[nH]c(c(Nc3ccccc3)c12)-c1ccnc(NCCCc2ccccc2)c1
BDBM415378 CCO\N=C1/CC(C)(C)Cc2[nH]c(c(Nc3ccccc3)c12)-c1ccncc1
BDBM415379 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)COCc2cccnc2)c1
BDBM414904 Cc1cccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
BDBM414905 CC1(C)Cc2[nH]c(c(Nc3cccc(Cl)c3)c2C(=O)C1)-c1ccncc1
BDBM414906 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncn1
BDBM414907 CC1(C)Cc2[nH]c(c(Nc3cccc(F)c3)c2C(=O)C1)-c1ccncc1
BDBM414910 O=C1CC(Cc2[nH]c(c(Nc3ccccc3)c12)-c1ccncc1)c1ccccc1
BDBM414911 O=C1CCCc2[nH]c(c(Nc3ccccc3)c12)-c1ccncc1
BDBM415006 CCCC(=O)Nc1cccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
BDBM415007 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(Cl)c1
BDBM415008 CCOc1cccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
BDBM415009 CC(C)Oc1cccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
BDBM415010 CC1(C)Cc2[nH]c(c(Nc3cccc(OCCO)c3)c2C(=O)C1)-c1ccncc1
BDBM415011 CC1(C)Cc2[nH]c(c(Nc3cccc(OC(F)(F)F)c3)c2C(=O)C1)-c1ccncc1
BDBM415111 Nc1cc(CNC2=C(C(=S)Nc3ccc(F)cc3)C(=O)CCC2)ccn1 |c:6|
BDBM415112 Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccc(F)c(F)c1
BDBM415113 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(F)c1
BDBM415114 CC1(C)CC(=O)C(C(=S)Nc2ccccc2)=C(C1)NCc1ccnc(Cl)c1Cl |c:16|
BDBM415115 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1cc(Cl)ncc1Cl
BDBM415116 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1cc(Cl)nc(Cl)c1
BDBM415117 Clc1cc(CNC2=C(C(=S)Nc3ccccc3)C(=O)CCC2)cc(Cl)n1 |c:6|
BDBM415208 CC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccc(F)c(F)c1
BDBM415215 CC(C)C1Cc2[nH]c(c(Nc3ccc(F)cc3)c2C(=O)C1)-c1ccnc(NC(=O)C2CC2)c1
BDBM415218 COCC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415219 COC(C)(C)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415226 CCCCOCC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415227 CCOCC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415228 C=CCOCC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415229 O=C(COCC#C)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415230 O=C(COc1ccccc1)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415231 Fc1cccc(OCC(=O)Nc2cc(ccn2)-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)c1
BDBM415244 Cn1nccc1COCC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415245 O=C(COCc1ccco1)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415246 Cc1nnc(COCC(=O)Nc2cc(ccn2)-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)o1
BDBM415247 Cc1cc(COCC(=O)Nc2cc(ccn2)-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)no1
BDBM415248 Cc1cnc(COCC(=O)Nc2cc(ccn2)-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)o1
BDBM415249 Cc1nnc(COCC(=O)Nc2cc(ccn2)-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)s1
BDBM415270 CCNC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415271 CC(C)NC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415272 O=C(NC1CC1)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415273 CC(C)(C)NC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415274 CC(C)CNC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415275 FC(F)(F)CNC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415302 CC1(C)CC(=O)C(C(=S)Nc2ccccc2)=C(C1)NCc1ccncc1OCCO |c:16|
BDBM415303 COCCOc1cnccc1CNC1=C(C(=S)Nc2ccccc2)C(=O)CC(C)(C)C1 |c:14|
BDBM415304 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1OCC1CC1
BDBM415305 CC1(C)CC(=O)C(C(=S)Nc2ccccc2)=C(C1)NCc1ccncc1OCC(F)(F)F |c:16|
BDBM415306 COc1cnccc1-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415307 CC1(C)Cc2[nH]c(c(Nc3ccc(cc3)-c3ccccc3)c2C(=O)C1)-c1ccncc1
BDBM415339 Fc1cc(F)cc(c1)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415340 COc1cc(ccc1F)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415341 Cn1ccc(n1)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415342 O=C1CCCc2[nH]c(c(Nc3ccccc3)c12)-c1ccncc1OCC1CC1
BDBM415343 CCCOc1cnccc1-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415380 Cn1ccnc1COCC(=O)Nc1cc(ccn1)-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1
BDBM415381 Cn1ncnc1COCC(=O)Nc1cc(ccn1)-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1
BDBM415382 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)COCc2ccccn2)c1
BDBM415383 Cc1ncsc1COCC(=O)Nc1cc(ccn1)-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1
BDBM415384 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NCCCc2ccccc2)c1
BDBM414912 CC1(C)Cc2[nH]c(c(Nc3ccc(Cl)cc3)c2C(=O)C1)-c1ccncc1
BDBM414913 CC1(C)Cc2[nH]c(c(Nc3ccc(F)cc3)c2C(=O)C1)-c1ccncc1
BDBM414914 CC1(C)Cc2[nH]c(c(Nc3cccc(Br)c3)c2C(=O)C1)-c1ccncc1
BDBM414915 O=C1CC2(CCC2)Cc2[nH]c(c(Nc3ccccc3)c12)-c1ccncc1
BDBM414916 Cc1cc(F)cc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
BDBM414917 CCc1cccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
BDBM415012 CCCOc1cccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
BDBM415013 CC(=O)Nc1cccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
BDBM415014 COc1cc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)ccc1F
BDBM415015 CC1(C)Cc2[nH]c(c(Nc3ccc(F)c(CO)c3)c2C(=O)C1)-c1ccncc1
BDBM415016 CC(O)c1cccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
BDBM415017 CC(=O)c1cccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
BDBM415118 Fc1cc(-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)c(F)cn1
BDBM415119 CC1(C)CC(=O)C(C(=S)Nc2ccccc2)=C(C1)NCc1ccnc(Cl)c1F |c:16|
BDBM415120 CC1(C)CC(=O)C(C(=S)Nc2ccccc2)=C(C1)NCc1cc(Cl)ncc1F |c:16|
BDBM415121 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc2[nH]cnc12
BDBM415122 CC(C)C1Cc2[nH]c(c(Nc3ccc(F)c(F)c3)c2C(=O)C1)-c1ccnc(N)c1
BDBM415124 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1cc(N)ncn1
BDBM415232 Fc1ccccc1OCC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415233 O=C(COCc1ccccc1)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415234 Fc1ccc(COCC(=O)Nc2cc(ccn2)-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)cc1
BDBM415235 COc1ccc(COCC(=O)Nc2cc(ccn2)-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)cc1
BDBM415236 O=C(COCC1CCCCO1)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415237 O=C(COc1ccsc1)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415250 CC(=O)Nc1cc(ncn1)-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1
BDBM415293 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(c1)C(F)F
BDBM415252 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC2CCC2)c1
BDBM415253 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(c1)N1CCC1
BDBM415329 FCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
BDBM415257 CC(C)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415276 COCCNC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415277 O=C(NCc1ccco1)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415278 O=C(Nc1ccncc1)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415279 O=C(Nc1ccccn1)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415280 FC(F)CNC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415281 ClCCNC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415308 CC1(C)Cc2[nH]c(c(Nc3cccc(Cc4ccccc4)c3)c2C(=O)C1)-c1ccncc1
BDBM415309 CC1(C)Cc2[nH]c(c(Nc3ccccc3Cc3ccccc3)c2C(=O)C1)-c1ccncc1
BDBM415310 Cn1nccc1-c1cccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
BDBM415311 CC1(C)Cc2[nH]c(c(Nc3cccc(c3)-c3ccsc3)c2C(=O)C1)-c1ccncc1
BDBM415312 CC1(C)Cc2[nH]c(c(Nc3cccc(c3)-c3ccco3)c2C(=O)C1)-c1ccncc1
BDBM415313 CC1(C)Cc2[nH]c(c(Nc3cccc(c3)-c3cccs3)c2C(=O)C1)-c1ccncc1
BDBM415345 FC(F)(F)COc1cnccc1-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415347 CC1(C)OC[C@H](O1)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1 |r|
BDBM415348 CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CF)CC(=O)c2c1Nc1ccccc1
BDBM415349 Fc1ccc(OCC(=O)Nc2cc(ccn2)-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)cc1
BDBM415350 Cn1ccnc1CC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415385 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NCCc2ccccc2)c1
BDBM415386 Fc1ccc(CNc2cc(ccn2)-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)cc1
BDBM415387 O=C1CCCc2[nH]c(c(Nc3ccccc3)c12)-c1ccnc(NCc2cncs2)c1
BDBM415388 O=C1CCCc2[nH]c(c(Nc3ccccc3)c12)-c1ccnc(NCc2cscn2)c1
BDBM415389 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)COCC(F)(F)F)c1
BDBM415390 O=C1CCCc2[nH]c(c(Nc3ccccn3)c12)-c1ccncc1
BDBM414918 CC1(C)Cc2[nH]c(c(Nc3cccc(c3)[N+]([O-])=O)c2C(=O)C1)-c1ccncc1
BDBM414921 CC1(C)Cc2[nH]c(c(Nc3cc(F)cc(Cl)c3)c2C(=O)C1)-c1ccncc1
BDBM414922 FC(F)(F)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
BDBM414923 CC1(C)Cc2[nH]c(c(Nc3ccc(F)c(F)c3)c2C(=O)C1)-c1ccncc1
BDBM415018 CC(C)(C)c1cccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
BDBM415019 CC1(C)Cc2[nH]c(c(Nc3cccc(OC(F)F)c3)c2C(=O)C1)-c1ccncc1
BDBM415020 CC(C)(C)OC(=O)c1cccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
BDBM415021 CC1(C)Cc2[nH]c(c(Nc3cccc(c3)C3OCCO3)c2C(=O)C1)-c1ccncc1
BDBM415022 COc1cc(F)ccc1Nc1c([nH]c2CC(C)(C)CC(=O)c12)-c1ccncc1
BDBM415023 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(N)c1
BDBM415125 CCC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415126 CCCC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415127 CC(C)(C)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415128 CC1(CC1)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415129 O=C(Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)C1CCC1
BDBM415130 CC(C)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415258 FC(F)(F)CCNc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415259 O=C1CCCc2[nH]c(c(Nc3ccccc3)c12)-c1ccnc(NCc2ccccc2)c1
BDBM415260 O=C1CCCc2[nH]c(c(Nc3ccccc3)c12)-c1ccnc(NCc2ccncc2)c1
BDBM415261 O=C1CCCc2[nH]c(c(Nc3ccccc3)c12)-c1ccnc(NCC2CC2)c1
BDBM415262 OC(=O)CNc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415263 CC1(C)OC[C@H](CNc2cc(ccn2)-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)O1 |r|
BDBM415282 CSCCNC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415283 Cn1cc(NC(=O)Nc2cc(ccn2)-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)cn1
BDBM415284 Cn1cc(NC(=O)Nc2cc(ccn2)-c2[nH]c3CC(C)(C)CC(=O)c3c2Nc2ccccc2)cn1
BDBM415285 CNC(=S)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415286 CCNC(=S)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415287 FC(F)(F)CNC(=S)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415314 CC1(C)Cc2[nH]c(c(Nc3cccc(Oc4ccccc4)c3)c2C(=O)C1)-c1ccncc1
BDBM415315 CC1(C)Cc2[nH]c(c(Nc3cc(ccn3)-c3ccccc3)c2C(=O)C1)-c1ccncc1
BDBM415316 CC1(C)Cc2[nH]c(c(Nc3cccc(n3)-c3ccccc3)c2C(=O)C1)-c1ccncc1
BDBM415317 CC1(C)Cc2[nH]c(c(Nc3ccccc3CO)c2C(=O)C1)-c1ccncc1
BDBM415318 CC1(C)Cc2[nH]c(c(Nc3ccccc3CCO)c2C(=O)C1)-c1ccncc1
BDBM415319 CC1(C)Cc2[nH]c(c(Nc3cccc(c3)C#C)c2C(=O)C1)-c1ccncc1
BDBM415352 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2ccn[nH]2)c1
BDBM415353 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)[C@H]2C[C@@H]2F)c1 |r|
BDBM415354 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2cc(F)cc(F)c2)c1
BDBM415355 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(OCc2ccccc2)c1
BDBM415356 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(O)c1
BDBM415391 Cn1ccc(n1)C(=O)Nc1cc(ccn1)-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1
BDBM415392 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2nccs2)c1
BDBM415393 Cn1cc(cn1)C(=O)Nc1cc(ccn1)-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1
BDBM415394 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NCCCCc2ccccc2)c1
BDBM415395 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NCc2cncs2)c1
BDBM415396 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NCC2CC2)c1
BDBM414924 CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
BDBM414925 CC1(C)Cc2[nH]c(c(Nc3cccc(F)c3)c2C(=O)C1)-c1ccnc(F)c1
BDBM414926 CC1(C)Cc2[nH]c(c(Nc3ccccn3)c2C(=O)C1)-c1ccncc1
BDBM414927 CC1(C)Cc2[nH]c(c(Nc3ccc4ccoc4c3)c2C(=O)C1)-c1ccncc1
BDBM414928 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc2[nH]ccc12
BDBM414929 CCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
BDBM415024 CC1(C)Cc2[nH]c(c(Nc3cccc(F)c3)c2C(=O)C1)-c1ccnc(Nc2cccc(F)c2)c1
BDBM415025 COc1ccccc1Nc1c([nH]c2CC(C)(C)CC(=O)c12)-c1ccncc1
BDBM415026 CCOc1cc(F)ccc1Nc1c([nH]c2CC(C)(C)CC(=O)c12)-c1ccncc1
BDBM415027 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(c1)N1CCCC1
BDBM415028 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(c1)N1CCOCC1
BDBM415029 CCOc1ccccc1Nc1c([nH]c2CC(C)(C)CC(=O)c12)-c1ccncc1
BDBM415131 O=C(CC1CC1)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415132 CC1(C)CC1C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415133 O=C(Cc1ccccc1)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415136 O=C(CCCc1ccccc1)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415288 O=C1CCCc2[nH]c(c(Nc3ccccc3)c12)-c1ccnc(NC(=S)NC2CC2)c1
BDBM415289 CC(C)(C)NC(=S)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415290 O=C1CCCc2[nH]c(c(Nc3ccccc3)c12)-c1ccnc(NC(=S)NC2CCCC2)c1
BDBM415291 O=C1CCCc2[nH]c(c(Nc3ccccc3)c12)-c1ccnc(NC(=S)NCC2CC2)c1
BDBM415292 CCCNC(=S)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415294 FC(F)c1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415320 CC1(C)Cc2[nH]c(c(Nc3ccccc3C(N)=O)c2C(=O)C1)-c1ccncc1
BDBM415321 CC1(C)Cc2[nH]c(c(Nc3ccc(cc3)S(N)(=O)=O)c2C(=O)C1)-c1ccncc1
BDBM415324 Fc1cccc(Nc2c([nH]c3CC(CC(=O)c23)C(F)(F)F)-c2ccncc2Cl)c1
BDBM415325 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(CO)c1
BDBM415326 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1C(F)(F)F
BDBM415357 O=C(Nc1cc(ccn1)-c1[nH]c2CC3(CC3)CC(=O)c2c1Nc1ccccc1)c1cocn1
BDBM415358 CO\N=C1/CC(C)(C)Cc2[nH]c(c(Nc3ccccc3)c12)-c1ccncc1
BDBM415359 CC(C)(C)n1cc(cn1)C(=O)Nc1cc(ccn1)-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1
BDBM415360 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2ccc(F)c(F)c2)c1
BDBM415361 COc1cc(ccc1F)C(=O)Nc1cc(ccn1)-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1
BDBM415362 CC(C)(F)C(=O)Nc1cc(ccn1)-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1
BDBM415397 CC1(C)Cc2[nH]c(c(Nc3cnccc3CO)c2C(=O)C1)-c1ccncc1
BDBM415398 CC1(C)Cc2[nH]c(c(Nc3ncccc3CO)c2C(=O)C1)-c1ccncc1
BDBM415399 CC1(C)Cc2[nH]c(c(Nc3ccc(Cc4ccccc4)cc3)c2C(=O)C1)-c1ccncc1
BDBM415400 CC1(C)Cc2[nH]c(c(Nc3ccc(Oc4ccccc4)cc3)c2C(=O)C1)-c1ccncc1
BDBM414930 CC(C)CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
BDBM414931 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1F
BDBM414932 CC1(C)Cc2[nH]c(c(Nc3cc(F)cc(F)c3)c2C(=O)C1)-c1ccncc1
BDBM414933 CC1(C)Cc2[nH]c(c(Nc3cc(F)c(F)c(F)c3)c2C(=O)C1)-c1ccncc1
BDBM414934 Clc1cnccc1-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM414936 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc2[nH]ncc12
BDBM415030 CC1(C)Cc2[nH]c(c(Nc3ccc(F)c(c3)C(F)(F)F)c2C(=O)C1)-c1ccncc1
BDBM415031 CC1(C)Cc2[nH]c(c(Nc3ccc4ccsc4c3)c2C(=O)C1)-c1ccncc1
BDBM415032 Cc1cnccc1-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1
BDBM415033 CC(C)C(=O)Nc1cc(ccn1)-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1
BDBM415034 CC(=O)N(C(C)=O)c1cc(ccn1)-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1
BDBM415137 CC1CC1C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415138 O=C(Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)c1ccccc1
BDBM415139 O=C(Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)C1CC1c1ccccc1
BDBM415140 CN(C(C)=O)c1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415141 CC(F)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415142 CC(C)(F)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415328 FC(F)(F)[C@H]1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1 |r|
BDBM415330 ClCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
BDBM415332 CC1(C)CC(=O)c2c(Nc3ccccc3)c([nH]c2C1O)-c1ccncc1
BDBM415333 OC1CCC(=O)c2c(Nc3ccccc3)c([nH]c12)-c1ccncc1
BDBM415363 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)COCc2ccccc2)c1
BDBM415364 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)C2CC2(F)F)c1
BDBM415365 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2cnn(Cc3ccccc3)c2)c1
BDBM415366 COc1ccc(Cn2cc(cn2)C(=O)Nc2cc(ccn2)-c2[nH]c3CC(C)(C)CC(=O)c3c2Nc2ccccc2)cc1
BDBM415367 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2cncs2)c1
BDBM414937 CCC(=O)Nc1cc(ccn1)-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1
BDBM414938 CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1
BDBM414939 O=C1CC2(CC2)Cc2[nH]c(c(Nc3ccccc3)c12)-c1ccncc1
BDBM414941 CC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM414942 CC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1cccc(F)c1
BDBM415036 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1c(F)cncc1F |(-5.6,-3.03,;-4.06,-3.03,;-5.15,-4.12,;-2.72,-3.8,;-1.39,-3.03,;.07,-3.51,;.98,-2.26,;.07,-1.02,;.47,.47,;.07,1.96,;1.16,3.05,;.76,4.53,;-.72,4.93,;-1.81,3.84,;-1.41,2.36,;-1.39,-1.49,;-2.72,-.72,;-2.72,.82,;-4.06,-1.49,;2.52,-2.26,;3.29,-.93,;2.52,.4,;4.83,-.93,;5.6,-2.26,;4.83,-3.6,;3.29,-3.6,;2.52,-4.93,)|
BDBM415037 Fc1cccc(Nc2c([nH]c3CCCC(=O)c23)-c2c(F)cncc2F)c1 |(-.3,5.37,;-1.07,4.03,;-2.61,4.03,;-3.38,2.7,;-2.61,1.37,;-1.07,1.37,;-.3,.03,;-.7,-1.45,;.21,-2.7,;-.7,-3.95,;-2.16,-3.47,;-3.49,-4.24,;-4.83,-3.47,;-4.83,-1.93,;-3.49,-1.16,;-3.49,.38,;-2.16,-1.93,;1.75,-2.7,;2.52,-1.37,;1.75,-.03,;4.06,-1.37,;4.83,-2.7,;4.06,-4.03,;2.52,-4.03,;1.75,-5.37,;-.3,2.7,)|
BDBM415038 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(Br)c1
BDBM415039 Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1cccc(F)c1
BDBM415041 Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415042 Fc1ccc(Nc2c([nH]c3CCCC(=O)c23)-c2ccncc2Cl)cc1
BDBM415143 CC(C)(CO)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415144 CSCC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415145 CC(C)(C#N)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415146 O=C(Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)C1(CC1)C#N
BDBM415147 CC(C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)C(F)(F)F
BDBM415148 CS(=O)(=O)CC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415368 Cc1ccc(CO)c(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
BDBM415369 Cc1ccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c(CO)c1
BDBM415370 Cc1cccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1CO
BDBM415371 O=C1CCCc2[nH]c(c(Nc3ccccc3)c12)-c1ccnc(NCCCCc2ccccc2)c1
BDBM415372 CC1(C)Cc2[nH]c(c(Nc3ccc(F)cc3CO)c2C(=O)C1)-c1ccncc1
BDBM415373 CC1(C)Cc2[nH]c(c(Nc3cccc(F)c3CO)c2C(=O)C1)-c1ccncc1
BDBM414943 Fc1cccc(Nc2c([nH]c3CCCC(=O)c23)-c2ccncc2)c1
BDBM414945 Fc1ccc(Nc2c([nH]c3CCCC(=O)c23)-c2ccncc2)cc1
BDBM414946 Fc1cccc(Nc2c([nH]c3CC(CC(=O)c23)C(F)(F)F)-c2ccncc2)c1
BDBM414947 Fc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM414948 CC1(C)Cc2[nH]c(c(Nc3cccc(c3)-c3ccccc3)c2C(=O)C1)-c1ccncc1
BDBM414949 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(c1)C#N
BDBM415045 Cc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415046 CCNC(=O)c1cccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
BDBM415048 CNc1cc(ccn1)-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1
BDBM415049 CC1(C)Cc2[nH]c(c(Nc3ccccc3C#N)c2C(=O)C1)-c1ccncc1
BDBM415050 CC1(C)Cc2[nH]c(c(Nc3ccc(F)c(c3)C#N)c2C(=O)C1)-c1ccncc1
BDBM415051 CC1(C)Cc2[nH]c(c(Nc3ccc(F)c(OC(F)(F)F)c3)c2C(=O)C1)-c1ccncc1
BDBM415149 F[C@H]1CC1C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1 |r|
BDBM415152 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)[C@@H]2C[C@H]2F)c1 |r|
BDBM414950 Fc1cccc(Nc2c([nH]c3CCCC(=O)c23)-c2ccnc(NC(=O)C3CC3)c2)c1
BDBM414951 O=C(Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)C1CC1
BDBM414952 CC(C)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(N)c1
BDBM414953 CC(C)C1Cc2[nH]c(c(Nc3cccc(F)c3)c2C(=O)C1)-c1ccnc(N)c1
BDBM414954 CC1(C)Cc2[nH]c(c(Nc3cccc(c3)C(F)(F)F)c2C(=O)C1)-c1ccncc1
BDBM414955 COc1cccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
BDBM415052 Cc1cc(ccn1)-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1
BDBM415053 COc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415054 Brc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415055 CC1(OCCO1)c1cccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
BDBM415056 CCC(O)c1cccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
BDBM415057 CC1(C)Cc2[nH]c(c(Nc3cccc(c3)C(O)C(F)(F)F)c2C(=O)C1)-c1ccncc1
BDBM415155 FC1(F)CC1C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415156 FC1(CC1)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415157 FC(F)(F)C1CC1C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415158 CC(C)(CF)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415159 Fc1ccccc1C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415160 Fc1cccc(c1)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM414956 Cc1ccccc1Nc1c([nH]c2CC(C)(C)CC(=O)c12)-c1ccncc1
BDBM414957 Cc1ccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)cc1
BDBM414958 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnnc1
BDBM414959 COc1cccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1OC
BDBM414960 COc1ccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)cc1OC
BDBM414961 COc1ccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)cc1
BDBM415058 COC(C)c1cccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
BDBM415059 CC1(C)Cc2[nH]c(c(Nc3cccc4ccccc34)c2C(=O)C1)-c1ccncc1
BDBM415060 CC1(C)Cc2[nH]c(c(Nc3ccc4ccccc4c3)c2C(=O)C1)-c1ccncc1
BDBM415061 CC1(C)Cc2[nH]c(c(Nc3ccccc3Oc3ccccc3)c2C(=O)C1)-c1ccncc1
BDBM415062 CC1(C)Cc2[nH]c(c(Nc3ccccc3-c3ccccc3)c2C(=O)C1)-c1ccncc1
BDBM415063 Fc1cccc(Nc2c([nH]c3CCCC(=O)c23)-c2ccnc(c2)N(C(=O)C2CC2)C(=O)C2CC2)c1
BDBM415161 Fc1ccc(cc1)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415162 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2ccc(F)cc2)c1
BDBM415163 O=C(Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)c1ccncc1
BDBM415164 O=C(Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)c1ccccn1
BDBM415165 O=C(Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)c1nccs1
BDBM415166 O=C(Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)c1cscn1
BDBM414962 CC1(C)Cc2[nH]c(c(Nc3ccccc3F)c2C(=O)C1)-c1ccncc1
BDBM414963 CC1(C)Cc2[nH]c(c(Nc3ccccc3Cl)c2C(=O)C1)-c1ccncc1
BDBM414964 COc1ccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c(OC)c1
BDBM414965 CC1(C)Cc2[nH]c(c(Nc3cccnc3)c2C(=O)C1)-c1ccncc1
BDBM414966 CC1(C)Cc2[nH]c(c(Nc3cncc4ccccc34)c2C(=O)C1)-c1ccncc1
BDBM414967 CC1(C)Cc2[nH]c(c(Nc3cccc(N)c3)c2C(=O)C1)-c1ccncc1
BDBM415064 O=C(C1CC1)N(C(=O)C1CC1)c1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415065 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NS(C)(=O)=O)c1
BDBM415066 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)C(F)F)c1
BDBM415067 CC(C)[C@@H]1Cc2[nH]c(c(Nc3ccc(F)cc3)c2C(=O)C1)-c1ccnc(N)c1 |r|
BDBM415068 CS(=O)(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415069 Cn1c2CCCC(=O)c2c(Nc2ccccc2)c1-c1ccncc1
BDBM415070 CCn1c2CCCC(=O)c2c(Nc2ccccc2)c1-c1ccncc1
BDBM415167 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2cscn2)c1
BDBM415168 O=C(Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)c1cncs1
BDBM415169 O=C(Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)c1ncc[nH]1
BDBM415170 O=C(Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)c1ccn[nH]1
BDBM414968 CC1(C)Cc2[nH]c(c(Nc3cnc4ccccc4c3)c2C(=O)C1)-c1ccncc1
BDBM414969 CC1(C)Cc2[nH]c(c(Nc3ccc4occc4c3)c2C(=O)C1)-c1ccncc1
BDBM414970 CC1(C)Cc2[nH]c(c(Nc3ccc4cc[nH]c4c3)c2C(=O)C1)-c1ccncc1
BDBM414971 CC1(C)Cc2[nH]c(c(Nc3ccc4sccc4c3)c2C(=O)C1)-c1ccncc1
BDBM414972 CC1(C)Cc2[nH]c(c(Nc3ccc4[nH]ccc4c3)c2C(=O)C1)-c1ccncc1
BDBM414973 CC1(C)Cc2[nH]c(c(Nc3ccccc3Br)c2C(=O)C1)-c1ccncc1
BDBM415071 CCCn1c2CCCC(=O)c2c(Nc2ccccc2)c1-c1ccncc1
BDBM415072 COC(=O)CCn1c2CCCC(=O)c2c(Nc2ccccc2)c1-c1ccncc1
BDBM415073 OC(=O)CCn1c2CCCC(=O)c2c(Nc2ccccc2)c1-c1ccncc1
BDBM415074 NC(=O)CCn1c2CCCC(=O)c2c(Nc2ccccc2)c1-c1ccncc1
BDBM415075 OCCCn1c2CCCC(=O)c2c(Nc2ccccc2)c1-c1ccncc1
BDBM415076 CS(=O)(=O)CCn1c2CCCC(=O)c2c(Nc2ccccc2)c1-c1ccncc1
BDBM415077 CCn1c2CCCC(=O)c2c(Nc2ccccc2)c1-c1ccncc1Cl |(-1.39,-4.42,;-.3,-3.33,;-.7,-1.84,;-2.16,-1.37,;-3.49,-2.14,;-4.83,-1.37,;-4.83,.17,;-3.49,.94,;-3.49,2.48,;-2.16,.17,;-.7,.65,;-.3,2.14,;1.19,2.53,;2.28,1.45,;3.77,1.84,;4.16,3.33,;3.08,4.42,;1.59,4.02,;.21,-.6,;1.75,-.6,;2.52,.74,;4.06,.74,;4.83,-.6,;4.06,-1.93,;2.52,-1.93,;1.75,-3.27,)|
BDBM415173 O=C(Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)c1cocn1
BDBM415174 O=C(Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)c1cccnc1
BDBM415175 O=C(Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)c1ccns1
BDBM415176 O=C(Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)c1cnn[nH]1
BDBM415177 O=C(Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)c1cnco1
BDBM415178 O=C(Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)c1nnn[nH]1
BDBM414974 CC1(C)Cc2[nH]c(c(Nc3ccc(Br)cc3)c2C(=O)C1)-c1ccncc1
BDBM414975 CC1(C)Cc2[nH]c(c(Nc3ccc4nc[nH]c4c3)c2C(=O)C1)-c1ccncc1
BDBM414976 CC1(C)Cc2[nH]c(c(Nc3ccc4cn[nH]c4c3)c2C(=O)C1)-c1ccncc1
BDBM414977 CC1(C)Cc2[nH]c(c(Nc3ccnc4ccccc34)c2C(=O)C1)-c1ccncc1
BDBM414978 COc1ccc(OC)c(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
BDBM414980 CC1(C)Cc2[nH]c(c(Nc3cc(Cl)cc(Cl)c3)c2C(=O)C1)-c1ccncc1
BDBM415078 CC1Cc2c(c(Nc3ccccc3)c(-c3ccncc3)n2C)C(=O)C1
BDBM415079 Cn1c2CC(C)(C)CC(=O)c2c(Nc2ccccc2)c1-c1ccncc1
BDBM415080 CC1(C)Cc2c(c(Nc3ccccc3)c(-c3ccncc3)n2CC(F)(F)F)C(=O)C1
BDBM415081 CCn1c2CC(C)(C)CC(=O)c2c(Nc2ccccc2)c1-c1ccncc1
BDBM415082 CCCn1c2CC(C)(C)CC(=O)c2c(Nc2ccccc2)c1-c1ccncc1
BDBM415083 CC(C)(C)[Si](C)(C)OCCn1c2CC(C)(C)CC(=O)c2c(Nc2ccccc2)c1-c1ccncc1
BDBM415084 CC1(C)Cc2c(c(Nc3ccccc3)c(-c3ccncc3)n2CCO)C(=O)C1
BDBM415085 CC1(C)Cc2c(c(Nc3ccccc3)c(-c3ccncc3)n2CC(N)=O)C(=O)C1
BDBM415179 O=C(Cc1ccc[nH]1)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415180 O=C(Cc1nccs1)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415181 O=C(Cc1cc[nH]c1)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415182 O=C(Cc1cscn1)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415183 O=C(Cc1ccco1)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM414981 CC1(C)Cc2[nH]c(c(Nc3cc(Cl)ccc3Cl)c2C(=O)C1)-c1ccncc1
BDBM414982 CC1(C)Cc2[nH]c(c(Nc3cccc(c3)C#N)c2C(=O)C1)-c1ccncc1
BDBM414983 CC1(C)Cc2[nH]c(c(Nc3cccc(OCc4ccccc4)c3)c2C(=O)C1)-c1ccncc1
BDBM414984 Cc1cc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)ccc1F
BDBM414985 Cc1ccc(F)c(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
BDBM414986 CCc1ccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)cc1
BDBM415086 CC1(C)Cc2c(c(Nc3ccccc3)c(-c3ccncc3)n2Cc2ccccc2)C(=O)C1
BDBM415087 CCn1c2CC(C)(C)CC(=O)c2c(Nc2ccccc2)c1-c1ccnc(NC(C)=O)c1
BDBM415088 CC1(C)Cc2c(c(Nc3ccccc3)c(-c3ccncc3)n2CC(F)F)C(=O)C1
BDBM415089 CC(C)[n+]1ccc(cc1)-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1
BDBM415090 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1cc[n+](CC(F)(F)F)cc1
BDBM415091 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1cc[n+](CCCO)cc1
BDBM415184 Cc1cc(CC(=O)Nc2cc(ccn2)-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)on1
BDBM415187 Cn1nccc1CC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415188 CC(=O)Nc1cc(ccn1)-c1[nH]c2CC3(CC3)CC(=O)c2c1Nc1ccccc1
BDBM415189 O=C(Nc1cc(ccn1)-c1[nH]c2CC3(CC3)CC(=O)c2c1Nc1ccccc1)C1CC1
BDBM414987 CCc1ccccc1Nc1c([nH]c2CC(C)(C)CC(=O)c12)-c1ccncc1
BDBM414988 CC(C)c1cccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)c1
BDBM414989 CC(C)c1ccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)cc1
BDBM414991 CC1(C)Cc2[nH]c(c(Nc3cc(Cl)ccc3F)c2C(=O)C1)-c1ccncc1
BDBM414992 CC(C)c1ccccc1Nc1c([nH]c2CC(C)(C)CC(=O)c12)-c1ccncc1
BDBM414993 CC1(C)Cc2[nH]c(c(Nc3cccc(O)c3)c2C(=O)C1)-c1ccncc1
BDBM415092 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1cc[n+](CC(F)F)cc1
BDBM415093 COC(=O)C[n+]1ccc(cc1)-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1
BDBM415094 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2\C(C1)=N\O)-c1ccncc1
BDBM415095 CC(=O)O\N=C1/CC(C)(C)Cc2[nH]c(c(Nc3ccccc3)c12)-c1ccncc1
BDBM415096 Brc1cnccc1-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415097 O=C1CCCc2[nH]c(c(Nc3ccccc3)c12)-c1ccncc1C#N
BDBM415098 CC(C)(C)OC(=O)n1ccc2c1CC(C)(C)CC2=O
BDBM415190 CC(C)(C)OC(=O)N1CC(C1)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415191 O=C(Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)C1CNC1
BDBM415192 CN(CC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)C(=O)OC(C)(C)C
BDBM415193 CN(CCC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)C(=O)OC(C)(C)C
BDBM415194 CNCCC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415195 C[C@@H](N(C)C(=O)OC(C)(C)C)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1 |r|
BDBM414994 CC1(C)Cc2[nH]c(c(Nc3ccc(cc3)N([O-])=O)c2C(=O)C1)-c1ccncc1
BDBM414995 Cc1c(Cl)cccc1Nc1c([nH]c2CC(C)(C)CC(=O)c12)-c1ccncc1
BDBM414996 Cc1ccc(Nc2c([nH]c3CC(C)(C)CC(=O)c23)-c2ccncc2)cc1Cl
BDBM414997 Cc1ccc(Cl)cc1Nc1c([nH]c2CC(C)(C)CC(=O)c12)-c1ccncc1
BDBM414998 CC1(C)Cc2[nH]c(c(Nc3cccc(Cl)c3F)c2C(=O)C1)-c1ccncc1
BDBM414999 CC1(C)Cc2[nH]c(c(Nc3ccc(F)c(Cl)c3)c2C(=O)C1)-c1ccncc1
BDBM415099 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1Br
BDBM415100 CSc1cc(ccn1)-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1
BDBM415101 CSc1cnccc1CNC1=C(C(=S)Nc2ccccc2)C(=O)CC(C)(C)C1 |c:11|
BDBM415102 CS(=O)c1cnccc1-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1
BDBM415103 CC1(C)CC(=O)C(C(=S)Nc2cccc(Br)c2)=C(C1)NCc1ccnc(N)c1 |c:17|
BDBM415104 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(Nc2cnn(Cc3ccccc3)c2)c1
BDBM415196 CN[C@H](C)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1 |r|
BDBM415197 C[C@H](N(C)C(=O)OC(C)(C)C)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1 |r|
BDBM415198 CN[C@@H](C)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1 |r|
BDBM415199 CNC(C)(C)C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415200 CN(C)CC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415201 O=C(CN1CCCC1)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415331 CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CCl)CC(=O)c2c1Nc1ccccc1
BDBM414940 Fc1ccc(Nc2c([nH]c3CCCC(=O)c23)-c2ccncc2)cc1F
BDBM415150 F[C@@H]1CC1C(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1 |r|
BDBM415123 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(N)n1
BDBM415254 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NCC(F)(F)F)c1
BDBM415255 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NCCC(F)(F)F)c1
BDBM415295 CC1(C)Cc2[nH]c(c(Nc3cccc(F)c3)c2C(=O)C1)-c1ccnc(c1)C(F)F
BDBM415322 CC1(C)Cc2[nH]c(c(Nc3ccc(cc3)C#N)c2C(=O)C1)-c1ccncc1
BDBM415251 CNc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415256 CC(Nc1cc(ccn1)-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1)C(F)F
BDBM415296 COc1cnccc1-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1
BDBM415327 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(c1)S(N)(=O)=O
BDBM415134 O=C(CCc1ccccc1)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415185 O=C(Cc1cccs1)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
BDBM415171 O=C(Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)c1ccsn1
BDBM415214 CC(C)C1Cc2[nH]c(c(Nc3ccc(F)cc3)c2C(=O)C1)-c1ccnc(NC(C)=O)c1
BDBM414909 CC(C)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
BDBM415153 CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)[C@H]2C[C@H]2F)c1 |r|